(5S,7R)-3-chloranyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C24H34ClN2O2+ MolecularWeight: 417.99196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)[NH+]5CCCC5

InChI

InChI=1S/C24H33ClN2O2/c1-29-20-6-4-5-19(10-20)21(27-7-2-3-8-27)15-26-22(28)23-11-17-9-18(12-23)14-24(25,13-17)16-23/h4-6,10,17-18,21H,2-3,7-9,11-16H2,1H3,(H,26,28)/p+1/t17-,18+,21-,23?,24?/m0/s1