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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-3-(1-phenacylpyridin-1-ium-4-yl)propanenitrile bromide Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-3-(1-phenacylpyridin-1-ium-4-yl)propanenitrile bromide CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-3-(1-phenacyl-4-pyridin-1-iumyl)propanenitrile bromide IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-3-(1-phenacylpyridin-1-ium-4-yl)propanenitrile bromide Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-(1-phenacylpyridin-1-ium-4-yl)propionitrile bromide Formula: C24H19BrN4O2 MolecularWeight: 475.33726

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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(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=[N+](C=C3)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H18N4O2.BrH/c1-27-21-10-6-5-9-20(21)26-24(27)19(15-25)23(30)18-11-13-28(14-12-18)16-22(29)17-7-3-2-4-8-17;/h2-14H,16H2,1H3;1H