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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyridin-1-ium-1-yl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-pyridin-1-iumyl)butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyridin-1-ium-1-ylbutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-pyridin-1-ium-1-yl-butyronitrile Formula: C16H13N4O+ MolecularWeight: 277.30062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O/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)/p+1