2-[3,5-bis(1,3-dimethylbenzimidazol-3-ium-2-yl)phenyl]-1,3-dimethyl-benzimidazol-3-ium triiodide

Systemtic Name: 2-[3,5-bis(1,3-dimethylbenzimidazol-3-ium-2-yl)phenyl]-1,3-dimethyl-benzimidazol-3-ium triiodide Openeye Name: 2-[3,5-bis(1,3-dimethylbenzimidazol-3-ium-2-yl)phenyl]-1,3-dimethyl-benzimidazol-3-ium triiodide CAS Name: 2-[3,5-bis(1,3-dimethyl-2-benzimidazol-3-iumyl)phenyl]-1,3-dimethylbenzimidazol-3-ium triiodide IUPAC Name: 2-[3,5-bis(1,3-dimethylbenzimidazol-3-ium-2-yl)phenyl]-1,3-dimethylbenzimidazol-3-ium triiodide Traditional Name: 2-[3,5-bis(1,3-dimethylbenzimidazol-3-ium-2-yl)phenyl]-1,3-dimethyl-benzimidazol-3-ium triiodide Formula: C33H33I3N6 MolecularWeight: 894.36873

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC(=C3)C4=[N+](C5=CC=CC=C5N4C)C)C6=[N+](C7=CC=CC=C7N6C)C)C.[I-].[I-].[I-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC(=C3)C4=[N+](C5=CC=CC=C5N4C)C)C6=[N+](C7=CC=CC=C7N6C)C)C.[I-].[I-].[I-]

InChI

InChI=1S/C33H33N6.3HI/c1-34-25-13-7-8-14-26(25)35(2)31(34)22-19-23(32-36(3)27-15-9-10-16-28(27)37(32)4)21-24(20-22)33-38(5)29-17-11-12-18-30(29)39(33)6;;;/h7-21H,1-6H3;3*1H/q+3;;;/p-3