4057 -OEChem-10051720433D 51 53 0 1 0 0 0 0 0999 V2000 -1.1121 -0.9152 0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 -0.3380 2.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 -2.1286 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.2003 0.3719 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4462 -1.4405 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2805 -0.3252 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -1.8184 0.2541 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9488 -0.6201 -1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -1.8810 -1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5435 -0.1113 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 1.0915 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -1.1842 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 -0.1676 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 1.2765 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -0.5493 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 1.5136 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -0.4936 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 2.2819 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -0.9330 1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 2.8296 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 -0.8413 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 3.5979 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -1.2805 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 3.8717 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -1.2347 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1637 -2.2652 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -1.2301 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7136 0.6106 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9902 -1.1395 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -2.8101 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 0.2312 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 -0.7546 -2.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9689 -2.7263 -1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 -2.0701 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 -1.0218 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -0.0188 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 0.7663 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 1.1104 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9986 1.9373 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 1.1322 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 0.0836 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1431 0.7197 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -0.2145 -1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 2.0917 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 -0.9794 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 3.0426 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 -0.8109 -2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 4.4099 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4586 -1.5867 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 4.8964 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1877 -1.5065 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 44 1 0 0 0 0 19 23 2 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M CHG 1 4 1 M END > DB04843 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKNPSSNBBWDAGH-UHFFFAOYSA-N/SDF?record_type=3d > C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1 > GKNPSSNBBWDAGH-UHFFFAOYSA-N > C21H26NO3 > 340.436 > 340.191268703 > 2 > 51 > 0.9999103868136612 > 37.76003188899845 > 1 > 1 > 1 > 0 > 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium > -1.14 > -0.9746864134717452 > -5.78 > 0 > 1 > 3 > 1 > 11.047589145733243 > -4.527584507656279 > 46.53 > 109.39510000000004 > 5 > 1 > 6.27e-04 g/l > biotin > 0 $$$$