3-(azepan-1-ium-1-yl)-N-(4-cyanophenyl)propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(4-cyanophenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(4-cyanophenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(4-cyanophenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(4-cyanophenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(4-cyanophenyl)propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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