3601 -OEChem-10051719263D 80 85 0 0 0 0 0 0 0999 V2000 -4.3250 1.6256 -0.7577 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3188 1.6750 0.7415 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5842 0.4600 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5909 0.4578 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8877 1.5914 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 1.6498 1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 1.6014 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 1.6399 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9942 0.4368 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 -0.8718 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 0.4083 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -0.8649 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 1.6145 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 1.6605 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5211 2.9415 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2827 1.6191 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 2.9422 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3317 1.6530 1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6492 -0.7613 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 -1.5649 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -0.7950 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -1.5770 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6323 1.4052 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4636 -1.4047 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6842 1.3591 -1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -1.3748 1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9532 -1.0013 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9162 -2.8075 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -1.0580 -0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8462 -2.8154 1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9464 1.1626 1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -2.6569 -1.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0041 1.0934 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -2.6229 1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6001 -0.0291 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8528 -3.3518 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -0.1036 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7576 -3.3363 1.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 0.4609 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 0.4691 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 2.5203 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 0.8072 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 2.5850 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 0.8737 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 0.7104 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 2.4754 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 2.5030 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 0.7391 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 2.4850 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.7206 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 2.5664 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 0.8026 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 2.8413 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 3.7301 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5749 3.2287 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 0.7358 -2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3183 1.6529 -1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 2.5163 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 3.2168 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 2.8022 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 3.7640 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 2.5482 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 0.7694 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3549 1.6866 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 2.3013 1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -0.9694 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 2.2554 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 -0.9154 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4719 -1.9157 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8479 -3.3556 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 -1.9767 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -3.3777 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4663 1.8954 2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8193 -3.1135 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 1.8112 -2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 -3.0602 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6220 -0.1971 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 -4.3281 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6585 -0.2900 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 -4.3087 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 39 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 13 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 14 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 19 1 0 0 0 0 9 23 2 0 0 0 0 10 20 1 0 0 0 0 10 24 2 0 0 0 0 11 21 1 0 0 0 0 11 25 2 0 0 0 0 12 22 1 0 0 0 0 12 26 2 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 20 1 0 0 0 0 19 27 2 0 0 0 0 20 28 2 0 0 0 0 21 22 1 0 0 0 0 21 29 2 0 0 0 0 22 30 2 0 0 0 0 23 31 1 0 0 0 0 23 65 1 0 0 0 0 24 32 1 0 0 0 0 24 66 1 0 0 0 0 25 33 1 0 0 0 0 25 67 1 0 0 0 0 26 34 1 0 0 0 0 26 68 1 0 0 0 0 27 35 1 0 0 0 0 27 69 1 0 0 0 0 28 36 1 0 0 0 0 28 70 1 0 0 0 0 29 37 1 0 0 0 0 29 71 1 0 0 0 0 30 38 1 0 0 0 0 30 72 1 0 0 0 0 31 35 2 0 0 0 0 31 73 1 0 0 0 0 32 36 2 0 0 0 0 32 74 1 0 0 0 0 33 37 2 0 0 0 0 33 75 1 0 0 0 0 34 38 2 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 M CHG 2 1 1 2 1 M END > DB00941 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDZAQYPYABGTCL-UHFFFAOYSA-N/SDF?record_type=3d > C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2 > InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2 > HDZAQYPYABGTCL-UHFFFAOYSA-N > C36H42N2 > 502.745 > 502.333702201 > 0 > 80 > 60.40577065050725 > 1 > 0 > 2 > 0 > N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium > 1.83 > -0.28401380361015754 > -9.44 > 1 > 6 > 2 > 17.24171227274261 > 16.639652281414666 > 0.0 > 184.4935999999999 > 9 > 0 > 2.09e-07 g/l > N-[6-(9H-fluoren-9-yldimethylammonio)hexyl]-N,N-dimethyl-9H-fluoren-9-aminium > 1 $$$$