1-methyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitro-benzimidazole iodide

Systemtic Name: 1-methyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitro-benzimidazole iodide Openeye Name: 1-methyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitro-benzimidazole iodide CAS Name: 1-methyl-2-(1-methyl-3-pyridin-1-iumyl)-5-nitrobenzimidazole iodide IUPAC Name: 1-methyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitrobenzimidazole iodide Traditional Name: 1-methyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitro-benzimidazole iodide Formula: C14H13IN4O2 MolecularWeight: 396.18309

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C14H13N4O2.HI/c1-16-7-3-4-10(9-16)14-15-12-8-11(18(19)20)5-6-13(12)17(14)2;/h3-9H,1-2H3;1H/q+1;/p-1