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

Systemtic Name: 2-[4-[[2-butyl-1-[(2-oxidanylcyclohexyl)carbamoyl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[[(2-hydroxycyclohexyl)amino]-oxomethyl]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-[(2-hydroxycyclohexyl)carbamoyl]benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H36N3O4+ MolecularWeight: 526.64594

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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)C(=O)NC5CCCCC5O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NC5CCCCC5O

InChI

InChI=1S/C32H35N3O4/c1-2-3-16-30-33-26-12-6-8-14-28(26)35(30,32(39)34-27-13-7-9-15-29(27)36)21-22-17-19-23(20-18-22)24-10-4-5-11-25(24)31(37)38/h4-6,8,10-12,14,17-20,27,29,36H,2-3,7,9,13,15-16,21H2,1H3,(H-,34,37,38,39)/p+1