1-methyl-4-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole iodide

Systemtic Name: 1-methyl-4-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole iodide Openeye Name: 1-methyl-4-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole iodide CAS Name: 1-methyl-4-nitro-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzimidazole iodide IUPAC Name: 1-methyl-4-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole iodide Traditional Name: 1-methyl-4-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole iodide Formula: C31H23IN4O2 MolecularWeight: 610.44439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)[N+](=O)[O-])N=C1[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CN1C2=C(C(=CC=C2)[N+](=O)[O-])N=C1[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C31H23N4O2.HI/c1-33-26-18-11-19-27(35(36)37)30(26)32-31(33)34-28(23-14-7-3-8-15-23)20-25(22-12-5-2-6-13-22)21-29(34)24-16-9-4-10-17-24;/h2-21H,1H3;1H/q+1;/p-1