(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-3-(1-prop-2-enylpyridin-1-ium-4-yl)propanenitrile bromide

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-3-(1-prop-2-enylpyridin-1-ium-4-yl)propanenitrile bromide Openeye Name: (2E)-3-(1-allylpyridin-1-ium-4-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-propanenitrile bromide CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-3-(1-prop-2-enyl-4-pyridin-1-iumyl)propanenitrile bromide IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-3-(1-prop-2-enylpyridin-1-ium-4-yl)propanenitrile bromide Traditional Name: (2E)-3-(1-allylpyridin-1-ium-4-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)propionitrile bromide Formula: C19H17BrN4O MolecularWeight: 397.26848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C3=CC=[N+](C=C3)CC=C.[Br-]

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=[N+](C=C3)CC=C.[Br-]

InChI

InChI=1S/C19H16N4O.BrH/c1-3-10-23-11-8-14(9-12-23)18(24)15(13-20)19-21-16-6-4-5-7-17(16)22(19)2;/h3-9,11-12H,1,10H2,2H3;1H