5-(1,3-diethylbenzimidazol-3-ium-2-yl)-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium diiodide

Systemtic Name: 5-(1,3-diethylbenzimidazol-3-ium-2-yl)-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium diiodide Openeye Name: 5-(1,3-diethylbenzimidazol-3-ium-2-yl)-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium diiodide CAS Name: 5-(1,3-diethyl-2-benzimidazol-3-iumyl)-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium diiodide IUPAC Name: 5-(1,3-diethylbenzimidazol-3-ium-2-yl)-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium diiodide Traditional Name: 5-(1,3-diethylbenzimidazol-3-ium-2-yl)-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium diiodide Formula: C27H30I2N4 MolecularWeight: 664.36284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1C3=CC4=C(C=C3)N(C(=[N+]4CC)C)C5=CC=CC=C5)CC.[I-].[I-]

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1C3=CC4=C(C=C3)N(C(=[N+]4CC)C)C5=CC=CC=C5)CC.[I-].[I-]

InChI

InChI=1S/C27H30N4.2HI/c1-5-28-20(4)31(22-13-9-8-10-14-22)25-18-17-21(19-26(25)28)27-29(6-2)23-15-11-12-16-24(23)30(27)7-3;;/h8-19H,5-7H2,1-4H3;2*1H/q+2;;/p-2