3-[1-[aminocarbonyl(5-oxidanylpentyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[1-[aminocarbonyl(5-oxidanylpentyl)amino]-2-butyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-[carbamoyl(5-hydroxypentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[carbamoyl(5-hydroxypentyl)amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-[carbamoyl(5-hydroxypentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-[carbamoyl(5-hydroxypentyl)amino]benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C31H37N4O4+ MolecularWeight: 529.64988

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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(CCCCCO)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O4/c1-3-4-17-28-33-25-15-9-10-16-27(25)35(28,34(31(32)39)20-11-6-12-21-36)26-19-18-24(23-13-7-5-8-14-23)29(22(26)2)30(37)38/h5,7-10,13-16,18-19,36H,3-4,6,11-12,17,20-21H2,1-2H3,(H2-,32,37,38,39)/p+1