1-ethyl-3-[4-(3-ethylbenzimidazol-1-ium-1-yl)butyl]benzimidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-3-[4-(3-ethylbenzimidazol-1-ium-1-yl)butyl]benzimidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-3-[4-(3-ethylbenzimidazol-1-ium-1-yl)butyl]benzimidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-3-[4-(3-ethyl-1-benzimidazol-1-iumyl)butyl]benzimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-3-[4-(3-ethylbenzimidazol-1-ium-1-yl)butyl]benzimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-3-[4-(3-ethylbenzimidazol-1-ium-1-yl)butyl]benzimidazol-3-ium ditosylate Formula: C36H42N4O6S2 MolecularWeight: 690.87188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=CC=CC=C21)CCCC[N+]3=CN(C4=CC=CC=C43)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C=[N+](C2=CC=CC=C21)CCCC[N+]3=CN(C4=CC=CC=C43)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H28N4.2C7H8O3S/c1-3-23-17-25(21-13-7-5-11-19(21)23)15-9-10-16-26-18-24(4-2)20-12-6-8-14-22(20)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-8,11-14,17-18H,3-4,9-10,15-16H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2