N-(cyanomethyl)-2-(3-methylimidazol-3-ium-1-yl)-N-(4-methylphenyl)ethanamide chloride

Systemtic Name: N-(cyanomethyl)-2-(3-methylimidazol-3-ium-1-yl)-N-(4-methylphenyl)ethanamide chloride Openeye Name: N-(cyanomethyl)-2-(3-methylimidazol-3-ium-1-yl)-N-(p-tolyl)acetamide chloride CAS Name: N-(cyanomethyl)-2-(3-methyl-1-imidazol-3-iumyl)-N-(4-methylphenyl)acetamide chloride IUPAC Name: N-(cyanomethyl)-2-(3-methylimidazol-3-ium-1-yl)-N-(4-methylphenyl)acetamide chloride Traditional Name: N-(cyanomethyl)-2-(3-methylimidazol-3-ium-1-yl)-N-(p-tolyl)acetamide chloride Formula: C15H17ClN4O MolecularWeight: 304.77468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC#N)C(=O)CN2C=C[N+](=C2)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC#N)C(=O)CN2C=C[N+](=C2)C.[Cl-]

InChI

InChI=1S/C15H17N4O.ClH/c1-13-3-5-14(6-4-13)19(8-7-16)15(20)11-18-10-9-17(2)12-18;/h3-6,9-10,12H,8,11H2,1-2H3;1H/q+1;/p-1