2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenesulfonic acid

Systemtic Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenesulfonic acid Openeye Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenesulfonic acid CAS Name: 2-[4-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzenesulfonic acid IUPAC Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzenesulfonic acid Traditional Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]besylic acid Formula: C32H31N4O3S+ MolecularWeight: 551.67854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C32H30N4O3S/c1-4-10-30-34-31-25(32-33-26-13-6-7-14-27(26)35(32)2)12-9-15-28(31)36(30,3)21-22-17-19-23(20-18-22)24-11-5-8-16-29(24)40(37,38)39/h5-9,11-20H,4,10,21H2,1-3H3/p+1