3-[2-butyl-1-[butyl(cyclohexylcarbamoyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-[butyl(cyclohexylcarbamoyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[butyl(cyclohexylcarbamoyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[butyl-[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[butyl(cyclohexylcarbamoyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[butyl(cyclohexylcarbamoyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C36H45N4O3+ MolecularWeight: 581.7675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H44N4O3/c1-4-6-22-33-38-30-20-14-15-21-32(30)40(33,39(25-7-5-2)36(43)37-28-18-12-9-13-19-28)31-24-23-29(27-16-10-8-11-17-27)34(26(31)3)35(41)42/h8,10-11,14-17,20-21,23-24,28H,4-7,9,12-13,18-19,22,25H2,1-3H3,(H-,37,41,42,43)/p+1