2-[4-[[5-aminocarbonyl-1-butyl-4-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-aminocarbonyl-1-butyl-4-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-butyl-5-carbamoyl-4-(hydroxymethyl)-1-imidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(1-butyl-5-carbamoyl-4-methylol-imidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC(=C1C(=O)N)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC[N+]1(C=NC(=C1C(=O)N)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-2-3-12-26(15-25-20(14-27)21(26)22(24)28)13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23(29)30/h4-11,15,27H,2-3,12-14H2,1H3,(H2-,24,28,29,30)/p+1