2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-13-7-8-15(14(2)11-13)18-17(22)19-16(21)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H2,18,19,21,22)/p+1