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

Systemtic Name: 2-[4-[[1-azanyl-2-butyl-4-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-amino-2-butyl-4-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-amino-2-butyl-4-[(cyclohexylamino)-oxomethyl]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-amino-2-butyl-4-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-amino-2-butyl-4-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H37N4O3+ MolecularWeight: 525.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N)C(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N)C(=O)NC5CCCCC5

InChI

InChI=1S/C32H36N4O3/c1-2-3-16-29-35-30-27(31(37)34-24-10-5-4-6-11-24)14-9-15-28(30)36(29,33)21-22-17-19-23(20-18-22)25-12-7-8-13-26(25)32(38)39/h7-9,12-15,17-20,24H,2-6,10-11,16,21,33H2,1H3,(H-,34,37,38,39)/p+1