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

Systemtic Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)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=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NC(=O)NC5CCCCC5

Isomeric SMILES

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

InChI

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