N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyano-ethanamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyano-ethanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyano-acetamide CAS Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyanoacetamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyanoacetamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyano-acetamide Formula: C14H13N6O+ MolecularWeight: 281.29262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)CC#N

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)CC#N

InChI

InChI=1S/C14H12N6O/c1-9-8-12(18-13(21)6-7-15)20(19-9)14-16-10-4-2-3-5-11(10)17-14/h2-5,8H,6H2,1H3,(H2,16,17,18,19,21)/p+1