1-[2-[2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethoxy]ethyl]-2,3-dimethyl-benzimidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[2-[2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethoxy]ethyl]-2,3-dimethyl-benzimidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 1-[2-[2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethoxy]ethyl]-2,3-dimethyl-benzimidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1-[2-[2-(2,3-dimethyl-1-benzimidazol-3-iumyl)ethoxy]ethyl]-2,3-dimethylbenzimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[2-[2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethoxy]ethyl]-2,3-dimethylbenzimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1-[2-[2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethoxy]ethyl]-2,3-dimethyl-benzimidazol-3-ium ditosylate Formula: C36H42N4O7S2 MolecularWeight: 706.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2N1CCOCCN3C(=[N+](C4=CC=CC=C43)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2N1CCOCCN3C(=[N+](C4=CC=CC=C43)C)C)C

InChI

InChI=1S/C22H28N4O.2C7H8O3S/c1-17-23(3)19-9-5-7-11-21(19)25(17)13-15-27-16-14-26-18(2)24(4)20-10-6-8-12-22(20)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,13-16H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2