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

Systemtic Name: 2-[4-[(2-butyl-1-quinolin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(2-quinolyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(2-quinolinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-1-quinolin-2-ylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(2-quinolyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H30N3O2+ MolecularWeight: 512.6209

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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=C6C=C5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C34H29N3O2/c1-2-3-16-32-36-30-14-8-9-15-31(30)37(32,33-22-21-26-10-4-7-13-29(26)35-33)23-24-17-19-25(20-18-24)27-11-5-6-12-28(27)34(38)39/h4-15,17-22H,2-3,16,23H2,1H3/p+1