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

Systemtic Name: 2-[4-[[2-butyl-1-(5-methoxy-1-methyl-benzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(5-methoxy-1-methyl-benzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(5-methoxy-1-methyl-2-benzimidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(5-methoxy-1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(5-methoxy-1-methyl-benzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H33N4O3+ MolecularWeight: 545.65082

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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)OC

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)OC

InChI

InChI=1S/C34H32N4O3/c1-4-5-14-32-35-28-12-8-9-13-31(28)38(32,34-36-29-21-25(41-3)19-20-30(29)37(34)2)22-23-15-17-24(18-16-23)26-10-6-7-11-27(26)33(39)40/h6-13,15-21H,4-5,14,22H2,1-3H3/p+1