2-[4-[[1-(5-bromanyl-1-methyl-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(5-bromanyl-1-methyl-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(5-bromo-1-methyl-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(5-bromo-1-methyl-2-benzimidazolyl)-2-butyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(5-bromo-1-methylbenzimidazol-2-yl)-2-butylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(5-bromo-1-methyl-benzimidazol-2-yl)-2-butyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H30BrN4O2+ MolecularWeight: 594.5209

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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=C(N5C)C=CC(=C6)Br

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=CC(=C6)Br

InChI

InChI=1S/C33H29BrN4O2/c1-3-4-13-31-35-27-11-7-8-12-30(27)38(31,33-36-28-20-24(34)18-19-29(28)37(33)2)21-22-14-16-23(17-15-22)25-9-5-6-10-26(25)32(39)40/h5-12,14-20H,3-4,13,21H2,1-2H3/p+1