2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)ethanone iodide

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)ethanone iodide Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)ethanone iodide CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methyl-4-pyridin-1-iumyl)-2-(4-nitrophenyl)ethanone iodide IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)ethanone iodide Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)ethanone iodide Formula: C21H17IN4O3 MolecularWeight: 500.28915

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-].[I-]

InChI

InChI=1S/C21H16N4O3.HI/c1-24-12-10-15(11-13-24)20(26)19(14-6-8-16(9-7-14)25(27)28)21-22-17-4-2-3-5-18(17)23-21;/h2-13,26H,1H3;1H