N-(2-cyanoethyl)-N-phenyl-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C16H16ClN3O MolecularWeight: 301.77074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3O.ClH/c17-10-7-13-19(15-8-3-1-4-9-15)16(20)14-18-11-5-2-6-12-18;/h1-6,8-9,11-12H,7,13-14H2;1H/q+1;/p-1