3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propionamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-14-11-15(2)13-16(12-14)18-17(20)7-10-19-8-5-3-4-6-9-19/h11-13H,3-10H2,1-2H3,(H,18,20)/p+1