N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-phenyl-ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-phenyl-acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-phenylacetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-phenylacetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-phenyl-acetamide Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CC2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)CC2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C23H30N2O/c1-19-11-13-21(14-12-19)22(25-15-7-2-3-8-16-25)18-24-23(26)17-20-9-5-4-6-10-20/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3,(H,24,26)/p+1/t22-/m0/s1