HIT ID: HIT214320409
Cas No: 38971-12-9
分子式: C30H34NO3
分子量: 456.605
常用名: Xenytropium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3R,5S)-8-({[1,1'-biphenyl]-4-yl}methyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
IUPAC: (1R,3R,5S)-8-({[1,1'-biphenyl]-4-yl}methyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)Cc1ccc(cc1)-c1ccccc1 |TLB:22:21:6.7.8:2.3,9:7:21:2.3,THB:23:21:6.7.8:2.3|
SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)Cc1ccc(cc1)-c1ccccc1 |TLB:22:21:6.7.8:2.3,9:7:21:2.3,THB:23:21:6.7.8:2.3|
InChI key: QDCILXFPWMMNQY-DNYGJFJUSA-N
