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

Systemtic Name: 3-[2-butyl-1-[butylcarbamoyl(methyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[butylcarbamoyl(methyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[butylamino(oxo)methyl]-methylamino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[butylcarbamoyl(methyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[butylcarbamoyl(methyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C31H37N4O3+ MolecularWeight: 513.65048

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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(C)C(=O)NCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O3/c1-5-7-18-28-33-25-16-12-13-17-27(25)35(28,34(4)31(38)32-21-8-6-2)26-20-19-24(23-14-10-9-11-15-23)29(22(26)3)30(36)37/h9-17,19-20H,5-8,18,21H2,1-4H3,(H-,32,36,37,38)/p+1