71954 -OEChem-10061700263D 47 48 0 1 0 0 0 0 0999 V2000 -0.1104 0.4758 -0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 2.6942 0.2126 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7976 2.1832 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 0.9378 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 2.9988 1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5296 3.9623 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 1.6331 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4239 -0.6936 0.0495 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7196 -1.0879 -0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -1.7730 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 -0.2214 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.7948 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -2.7171 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 0.9238 -1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -0.5839 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 -2.7904 -1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -3.7127 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 -3.7494 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 1.7253 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 0.2176 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 1.3722 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 1.9754 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 2.9785 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 1.1689 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 0.1867 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 3.6113 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 3.5557 2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4695 2.0713 2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 3.7231 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4011 4.3188 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 4.7120 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 1.2707 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8517 0.8194 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0292 2.1002 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -0.4571 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -1.0522 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9782 -2.1313 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 -1.0836 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -2.6973 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 1.2083 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -1.4797 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 -2.8237 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 -4.4599 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 -4.5256 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4559 2.6245 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4419 -0.0568 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 1.9965 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 17 2 0 0 0 0 13 39 1 0 0 0 0 14 19 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 M CHG 1 2 1 M END > DB13630 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LBRNZQRZDLLIHL-UHFFFAOYSA-N/SDF?record_type=3d > C[N+](C)(C)CCOC(CC1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C19H26NO/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/q+1 > LBRNZQRZDLLIHL-UHFFFAOYSA-N > C19H26NO > 284.422 > 284.200890881 > 1 > 47 > 34.02703842671696 > 1 > 0 > 1 > 1 > [2-(1,2-diphenylethoxy)ethyl]trimethylazanium > -0.29 > -0.2217681494717456 > -7.22 > 0 > 2 > 1 > -4.223414477935625 > 9.23 > 100.59560000000003 > 7 > 1 > 1.91e-05 g/l > [2-(1,2-diphenylethoxy)ethyl]trimethylazanium > 1 $$$$