HIT ID: HIT214319064
Cas No: 17444-28-9
分子式: C18H26INO3
分子量: 431.314
常用名: Atropine iodomethylate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
IUPAC: (1R,3R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
SMILES: [I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C |TLB:10:8:22:3.4|
SMILES: [I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C |TLB:10:8:22:3.4|
InChI key: CVWRJQHABQDGRP-KUMOIWDRSA-M
