2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propanenitrile chloride

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propanenitrile chloride Openeye Name: 3-(1-benzylpyridin-1-ium-4-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-propanenitrile chloride CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-[1-(phenylmethyl)-4-pyridin-1-iumyl]propanenitrile chloride IUPAC Name: 3-(1-benzylpyridin-1-ium-4-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopropanenitrile chloride Traditional Name: 3-(1-benzylpyridin-1-ium-4-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-propionitrile chloride Formula: C22H17ClN4O MolecularWeight: 388.84958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4N3)C#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4N3)C#N.[Cl-]

InChI

InChI=1S/C22H16N4O.ClH/c23-14-18(22-24-19-8-4-5-9-20(19)25-22)21(27)17-10-12-26(13-11-17)15-16-6-2-1-3-7-16;/h1-13,27H,15H2;1H