2-(azepan-1-ium-1-yl)-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-13-7-8-15(11-14(13)2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)/p+1