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

Systemtic Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(ethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(ethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[(cyclohexylamino)-oxomethyl]-ethylamino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(ethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[cyclohexylcarbamoyl(ethyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C34H41N4O3+ MolecularWeight: 553.71434

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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(CC)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(CC)C(=O)NC5CCCCC5

InChI

InChI=1S/C34H40N4O3/c1-4-6-21-31-36-28-19-13-14-20-30(28)38(31,37(5-2)34(41)35-26-17-11-8-12-18-26)29-23-22-27(25-15-9-7-10-16-25)32(24(29)3)33(39)40/h7,9-10,13-16,19-20,22-23,26H,4-6,8,11-12,17-18,21H2,1-3H3,(H-,35,39,40,41)/p+1