2-[4-[[1-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1H-benzimidazol-2-yl)-2-butyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1H-benzimidazol-2-yl)-2-butylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H29N4O2+ MolecularWeight: 501.59826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C32H28N4O2/c1-2-3-16-30-33-28-14-8-9-15-29(28)36(30,32-34-26-12-6-7-13-27(26)35-32)21-22-17-19-23(20-18-22)24-10-4-5-11-25(24)31(37)38/h4-15,17-20H,2-3,16,21H2,1H3,(H-,34,35,37,38)/p+1