2,3-dimethyl-1-(4-methylphenyl)-5-nitro-benzimidazol-3-ium iodide

Systemtic Name: 2,3-dimethyl-1-(4-methylphenyl)-5-nitro-benzimidazol-3-ium iodide Openeye Name: 2,3-dimethyl-5-nitro-1-(p-tolyl)benzimidazol-3-ium iodide CAS Name: 2,3-dimethyl-1-(4-methylphenyl)-5-nitrobenzimidazol-3-ium iodide IUPAC Name: 2,3-dimethyl-1-(4-methylphenyl)-5-nitrobenzimidazol-3-ium iodide Traditional Name: 2,3-dimethyl-5-nitro-1-(p-tolyl)benzimidazol-3-ium iodide Formula: C16H16IN3O2 MolecularWeight: 409.22161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=[N+](C3=C2C=CC(=C3)[N+](=O)[O-])C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=[N+](C3=C2C=CC(=C3)[N+](=O)[O-])C)C.[I-]

InChI

InChI=1S/C16H16N3O2.HI/c1-11-4-6-13(7-5-11)18-12(2)17(3)16-10-14(19(20)21)8-9-15(16)18;/h4-10H,1-3H3;1H/q+1;/p-1