2-(2-methylphenyl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(o-tolyl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-methylphenyl)-N-[[3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(o-tolyl)-N-[3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O/c1-17-7-2-3-10-20(17)14-21(24)22-15-18-8-6-9-19(13-18)16-23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3,(H,22,24)/p+1