(2R)-2-(azepan-1-ium-1-yl)-N-(2-cyanophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCCCCC2

InChI

InChI=1S/C16H21N3O/c1-13(19-10-6-2-3-7-11-19)16(20)18-15-9-5-4-8-14(15)12-17/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,18,20)/p+1/t13-/m1/s1