2-[4-[[4-(cyclohexylcarbamoylamino)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)NC5CCCCC5

InChI

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