N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2/c1-28-22-7-3-2-6-20(22)21(26-8-4-5-9-26)16-25-23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,17-19,21H,4-5,8-16H2,1H3,(H,25,27)/p+1/t17?,18?,19?,21-,24?/m0/s1