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

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(3-methylphenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(m-tolyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(3-methylphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(3-methylphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(m-tolyl)propionamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C16H24N2O/c1-14-7-6-8-15(13-14)17-16(19)9-12-18-10-4-2-3-5-11-18/h6-8,13H,2-5,9-12H2,1H3,(H,17,19)/p+1