2-[1-ethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-(4-methoxyphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-(4-methoxyphenyl)-5-phenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-3-22(14-19(23)24)20(16-7-5-4-6-8-16)18(13-21-22)15-9-11-17(25-2)12-10-15/h4-13H,3,14H2,1-2H3