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

Systemtic Name: N-(cyanomethyl)-N-(4-methylphenyl)-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-(cyanomethyl)-N-(p-tolyl)-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-(cyanomethyl)-N-(4-methylphenyl)-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(cyanomethyl)-N-(4-methylphenyl)-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-(cyanomethyl)-N-(p-tolyl)-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC#N)C(=O)C[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC#N)C(=O)C[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H16N3O.ClH/c1-14-5-7-15(8-6-14)19(12-9-17)16(20)13-18-10-3-2-4-11-18;/h2-8,10-11H,12-13H2,1H3;1H/q+1;/p-1