2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)-6-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)-6-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)-6-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-6-methyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)-6-methylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)-6-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H39N4O3+ MolecularWeight: 539.68776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H38N4O3/c1-3-4-14-31-35-29-20-15-23(2)21-30(29)37(31,36-33(40)34-26-10-6-5-7-11-26)22-24-16-18-25(19-17-24)27-12-8-9-13-28(27)32(38)39/h8-9,12-13,15-21,26H,3-7,10-11,14,22H2,1-2H3,(H2-,34,36,38,39,40)/p+1