24199 -OEChem-10051722103D 56 58 0 1 0 0 0 0 0999 V2000 0.2507 -0.5372 1.7196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -0.2140 0.0963 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7014 -0.2850 -0.4451 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 1.1894 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -0.3206 0.3668 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3933 -0.9262 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 1.7602 1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 1.5269 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 -0.1597 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 0.3068 1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6527 -0.8564 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 -0.4060 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 3.2611 1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 3.0281 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 3.5934 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -1.0362 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8121 0.6979 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0421 -1.6256 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -1.2314 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -1.4550 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -1.8830 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -2.1067 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 -2.3207 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 1.6850 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -2.0020 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -0.8344 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 1.3081 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 1.5833 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 1.2003 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 1.0580 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 0.8991 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -0.6267 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9499 0.1660 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.3830 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 -1.9375 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 -0.7170 -2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 0.1740 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -1.4466 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 3.6230 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 3.7898 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 3.5433 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 3.2272 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 4.6802 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 3.1841 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2146 0.6667 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 1.7163 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5501 0.3294 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -1.5997 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -1.9393 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 -2.3072 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -1.4968 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -0.9021 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7067 -1.2952 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -2.0492 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -2.4415 -2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -2.8265 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 51 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 14 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 M CHG 1 2 1 M END > DB06787 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZRYHPQCHHOKSMD-UHFFFAOYSA-N/SDF?record_type=3d > C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1 > InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 > ZRYHPQCHHOKSMD-UHFFFAOYSA-N > C20H33N2O > 317.496 > 317.258740111 > 2 > 56 > 38.28649819243314 > 1 > 1 > 1 > 0 > 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium > -1.13 > -0.992857414471746 > -5.79 > 0 > 3 > 1 > 13.511154388509162 > 4.951848094860967 > 23.47 > 108.16150000000002 > 4 > 1 > 5.76e-04 g/l > hexocyclum > 1 $$$$