(2S)-2-(azepan-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C21H26N2O2/c1-25-19-13-9-12-18(16-19)22-21(24)20(17-10-5-4-6-11-17)23-14-7-2-3-8-15-23/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,22,24)/p+1/t20-/m0/s1