HIT ID: HIT214492345
Cas No: 69257-04-1
分子式: C26H29ClN2O
分子量: 420.98
常用名: N-Benzylcinchonidinium chloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,4S,5R)-1-benzyl-5-ethenyl-2-[(R)-hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium chloride
IUPAC: (1S,2S,4S,5R)-1-benzyl-5-ethenyl-2-[(R)-hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium chloride
SMILES: [Cl-].[H][C@@]12CC[N@@+](Cc3ccccc3)(C[C@@H]1C=C)[C@@]([H])(C2)[C@H](O)c1ccnc2ccccc12
SMILES: [Cl-].[H][C@@]12CC[N@@+](Cc3ccccc3)(C[C@@H]1C=C)[C@@]([H])(C2)[C@H](O)c1ccnc2ccccc12
InChI key: FCHYSBWCOKEPNQ-SPTWEYDNSA-M
