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

Systemtic Name: N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-(1-naphthyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(1-naphthalenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-(1-naphthyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C27H35N2O+ MolecularWeight: 403.5796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H34N2O/c30-26(27-15-19-12-20(16-27)14-21(13-19)17-27)28-18-25(29-10-3-4-11-29)24-9-5-7-22-6-1-2-8-23(22)24/h1-2,5-9,19-21,25H,3-4,10-18H2,(H,28,30)/p+1/t19?,20?,21?,25-,27?/m0/s1