1-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium iodide

Systemtic Name: 1-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium iodide Openeye Name: 1-methyl-3-(5-nitro-2-pyridyl)benzimidazol-1-ium iodide CAS Name: 1-methyl-3-(5-nitro-2-pyridinyl)benzimidazol-1-ium iodide IUPAC Name: 1-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium iodide Traditional Name: 1-methyl-3-(5-nitro-2-pyridyl)benzimidazol-1-ium iodide Formula: C13H11IN4O2 MolecularWeight: 382.15651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-].[I-]

InChI

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