2-[4-[[1-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1-butyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-butylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C35H35N4O2+ MolecularWeight: 543.678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1[N+]3(C4=CC=CC=C4N=C3CCC)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1[N+]3(C4=CC=CC=C4N=C3CCC)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C35H34N4O2/c1-3-5-23-38-31-17-10-8-15-29(31)37-35(38)39(32-18-11-9-16-30(32)36-33(39)12-4-2)24-25-19-21-26(22-20-25)27-13-6-7-14-28(27)34(40)41/h6-11,13-22H,3-5,12,23-24H2,1-2H3/p+1