11519070 -OEChem-10051722023D 66 70 0 0 0 0 0 0 0999 V2000 3.6881 0.0012 -2.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4049 -0.2330 -0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -0.7693 -0.7796 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7740 -0.2546 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 0.8256 -1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1853 -0.3034 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5052 -1.6137 -1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 0.5254 -1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -0.6043 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -1.9233 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 0.0488 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2569 -1.0712 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -1.0493 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 1.4429 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 0.0599 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 -2.2232 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 2.2486 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -0.8047 1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 1.8185 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -3.2189 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 3.5133 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -1.8004 2.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 3.0831 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1555 0.7989 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 -3.0074 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 3.9304 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6106 0.4342 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3954 0.8264 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1612 -0.2932 1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7481 0.4872 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5139 -0.6324 1.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3073 -0.2421 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 0.7571 -2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 1.8892 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 -1.1684 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 0.4997 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.4521 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 -1.6602 -2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 1.3523 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.4062 -2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -1.5164 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 0.2561 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -2.0274 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2323 -2.8372 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 -2.0233 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 -1.1930 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 0.1903 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 1.0071 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.2150 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -2.4093 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 2.0580 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 0.1028 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 1.1733 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 -4.1565 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 4.1725 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.6394 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3454 3.4083 0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 1.7515 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 0.9317 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 -3.7829 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 4.9144 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9696 1.3929 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5519 -0.6043 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3657 0.7904 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9494 -1.2010 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3604 -0.5066 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 49 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 22 2 0 0 0 0 18 52 1 0 0 0 0 19 23 2 0 0 0 0 19 53 1 0 0 0 0 20 25 2 0 0 0 0 20 54 1 0 0 0 0 21 26 2 0 0 0 0 21 55 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 M CHG 1 3 1 M END > DB09076 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FVTWTVQXNAJTQP-UHFFFAOYSA-N/SDF?record_type=3d > OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2 > InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1 > FVTWTVQXNAJTQP-UHFFFAOYSA-N > C29H34NO2 > 428.595 > 428.258405759 > 2 > 66 > 50.424531038362716 > 1 > 1 > 1 > 0 > 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium > 2.88 > 0.6822211795282553 > -7.38 > 1 > 5 > 1 > 13.037540528900987 > -3.657179772658708 > 29.46 > 141.7526 > 8 > 1 > 1.94e-05 g/l > 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium > 1 $$$$