2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxo-propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methyl-4-pyridin-1-iumyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-3-(1-methylpyridin-1-ium-4-yl)propionitrile Formula: C16H13N4O+ MolecularWeight: 277.30062

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C16H12N4O/c1-20-8-6-11(7-9-20)15(21)12(10-17)16-18-13-4-2-3-5-14(13)19-16/h2-9,21H,1H3/p+1