1-methyl-3-[4-[4-(3-methylbenzimidazol-3-ium-1-yl)phenyl]phenyl]benzimidazol-1-ium diiodide

Systemtic Name: 1-methyl-3-[4-[4-(3-methylbenzimidazol-3-ium-1-yl)phenyl]phenyl]benzimidazol-1-ium diiodide Openeye Name: 1-methyl-3-[4-[4-(3-methylbenzimidazol-3-ium-1-yl)phenyl]phenyl]benzimidazol-1-ium diiodide CAS Name: 1-methyl-3-[4-[4-(3-methyl-1-benzimidazol-3-iumyl)phenyl]phenyl]benzimidazol-1-ium diiodide IUPAC Name: 1-methyl-3-[4-[4-(3-methylbenzimidazol-3-ium-1-yl)phenyl]phenyl]benzimidazol-1-ium diiodide Traditional Name: 1-methyl-3-[4-[4-(3-methylbenzimidazol-3-ium-1-yl)phenyl]phenyl]benzimidazol-1-ium diiodide Formula: C28H24I2N4 MolecularWeight: 670.3259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C=[N+](C6=CC=CC=C65)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C=[N+](C6=CC=CC=C65)C.[I-].[I-]

InChI

InChI=1S/C28H24N4.2HI/c1-29-19-31(27-9-5-3-7-25(27)29)23-15-11-21(12-16-23)22-13-17-24(18-14-22)32-20-30(2)26-8-4-6-10-28(26)32;;/h3-20H,1-2H3;2*1H/q+2;;/p-2