2-[7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-9,9-dipropyl-fluoren-2-yl]-1,3-dimethyl-benzimidazol-3-ium; methanesulfonate

Systemtic Name: 2-[7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-9,9-dipropyl-fluoren-2-yl]-1,3-dimethyl-benzimidazol-3-ium; methanesulfonate Openeye Name: 2-[7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-9,9-dipropyl-fluoren-2-yl]-1,3-dimethyl-benzimidazol-3-ium; methanesulfonate CAS Name: 2-[7-(1,3-dimethyl-2-benzimidazol-3-iumyl)-9,9-dipropyl-2-fluorenyl]-1,3-dimethylbenzimidazol-3-ium; methanesulfonate IUPAC Name: 2-[7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-9,9-dipropylfluoren-2-yl]-1,3-dimethylbenzimidazol-3-ium; methanesulfonate Traditional Name: 2-[7-(1,3-dimethylbenzimidazol-3-ium-2-yl)-9,9-dipropyl-fluoren-2-yl]-1,3-dimethyl-benzimidazol-3-ium dimesylate Formula: C39H46N4O6S2 MolecularWeight: 730.93574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=CC(=C2)C3=[N+](C4=CC=CC=C4N3C)C)C5=C1C=C(C=C5)C6=[N+](C7=CC=CC=C7N6C)C)CCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCC1(C2=C(C=CC(=C2)C3=[N+](C4=CC=CC=C4N3C)C)C5=C1C=C(C=C5)C6=[N+](C7=CC=CC=C7N6C)C)CCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C37H40N4.2CH4O3S/c1-7-21-37(22-8-2)29-23-25(35-38(3)31-13-9-10-14-32(31)39(35)4)17-19-27(29)28-20-18-26(24-30(28)37)36-40(5)33-15-11-12-16-34(33)41(36)6;2*1-5(2,3)4/h9-20,23-24H,7-8,21-22H2,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2