2-(azocan-1-ium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(3,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCCCCC2)C

InChI

InChI=1S/C18H27N3O2/c1-14-8-9-16(12-15(14)2)19-18(23)20-17(22)13-21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H2,19,20,22,23)/p+1