2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole iodide Openeye Name: 2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole iodide CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)-6-nitro-1H-benzimidazole iodide IUPAC Name: 2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole iodide Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole iodide Formula: C13H11IN4O2 MolecularWeight: 382.15651

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H11N4O2.HI/c1-16-6-2-3-9(8-16)13-14-11-5-4-10(17(18)19)7-12(11)15-13;/h2-8H,1H3,(H,14,15);1H/q+1;/p-1