2-[1-ethyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-(4-hydroxy-3-methoxy-phenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-phenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-(4-hydroxy-3-methoxy-phenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H20N2O4/c1-3-22(13-19(24)25)20(14-7-5-4-6-8-14)16(12-21-22)15-9-10-17(23)18(11-15)26-2/h4-12H,3,13H2,1-2H3,(H-,23,24,25)