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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H21N3O/c17-13-14-6-5-7-15(12-14)18-16(20)8-11-19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11H2,(H,18,20)/p+1