(2S)-2-(azepan-1-ium-1-yl)-N-(3-cyanophenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-cyanophenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-cyanophenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(3-cyanophenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-cyanophenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-cyanophenyl)propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCCCCC2

InChI

InChI=1S/C16H21N3O/c1-13(19-9-4-2-3-5-10-19)16(20)18-15-8-6-7-14(11-15)12-17/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,20)/p+1/t13-/m0/s1