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

Systemtic Name: 2-[4-[[2-butyl-4-(1-oxidanidylpyridin-1-ium-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-(1-oxidopyridin-1-ium-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(1-oxido-2-pyridin-1-iumyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-(1-oxidopyridin-1-ium-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-(1-oxidopyridin-1-ium-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C26H25N3O3/c1-2-3-11-25-27-23(24-10-6-7-16-29(24)32)18-28(25)17-19-12-14-20(15-13-19)21-8-4-5-9-22(21)26(30)31/h4-10,12-16,18H,2-3,11,17H2,1H3,(H,30,31)