2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanenitrile chloride

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanenitrile chloride Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyridin-1-ium-1-yl-butanenitrile chloride CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-pyridin-1-iumyl)butanenitrile chloride IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyridin-1-ium-1-ylbutanenitrile chloride Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-pyridin-1-ium-1-yl-butyronitrile chloride Formula: C16H13ClN4O MolecularWeight: 312.75362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N.[Cl-]

InChI

InChI=1S/C16H12N4O.ClH/c17-10-12(15(21)11-20-8-4-1-5-9-20)16-18-13-6-2-3-7-14(13)19-16;/h1-9H,11H2,(H-,18,19,21);1H