3149 -OEChem-10051722273D 64 64 0 0 0 0 0 0 0999 V2000 -0.2924 1.3615 0.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 1.8077 0.4269 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7774 0.5314 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -0.5983 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 1.6966 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 -1.9670 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.9490 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.1937 1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.5839 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 -2.8923 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 1.4297 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -3.4208 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -3.7214 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1364 -2.4925 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -2.8628 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -1.6431 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -2.0058 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 1.7620 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 -0.8032 1.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 1.6119 -1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4844 2.3204 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 2.0202 -2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 2.7286 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 2.5784 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 0.6715 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 0.3175 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 -0.3648 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 -0.7454 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 2.6576 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 0.9509 1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -1.8731 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 -2.6653 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 3.2079 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 3.8132 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 2.6083 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 3.2301 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 2.1065 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 1.5489 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -1.9181 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7804 -3.5151 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -3.6247 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -1.9771 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 2.2388 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 0.4727 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -2.6911 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 -4.3390 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 -4.1400 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 -4.4979 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 -1.7368 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -2.0400 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 -3.2908 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 -3.6343 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -0.8649 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 -1.2266 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5595 -2.8003 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 -2.3943 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7636 -0.4096 2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3263 -1.0849 2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.0012 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 1.1526 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 2.4384 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 1.8962 -3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4503 3.1617 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 2.8940 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 21 23 2 0 0 0 0 21 61 1 0 0 0 0 22 24 2 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 M CHG 1 2 1 M END > DB11594 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YXUPZGKORWTXID-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1 > InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1 > YXUPZGKORWTXID-UHFFFAOYSA-N > C22H40NO > 334.567 > 334.310441332 > 1 > 64 > 44.630673477831564 > 1 > 0 > 1 > 1 > dodecyldimethyl(2-phenoxyethyl)azanium > 3.10 > 2.552330790861588 > -7.89 > 0 > 1 > 1 > -4.871516296368249 > 9.23 > 117.1355 > 15 > 1 > 4.80e-06 g/l > dodecyldimethyl(2-phenoxyethyl)azanium > 0 $$$$