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

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

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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=C4C(=O)O)C5=NC6=CC=CC=C6N5CCC

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5CCC

InChI

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