N-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(3-aminophenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(3-aminophenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(3-aminophenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(3-aminophenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18)/p+1