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

Systemtic Name: 2-[4-(4-cyanophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(4-cyanophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[4-(4-cyanophenyl)-1-ethyl-5-phenyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[4-(4-cyanophenyl)-1-ethyl-5-phenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-cyanophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]acetate Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2/c1-2-23(14-19(24)25)20(17-6-4-3-5-7-17)18(13-22-23)16-10-8-15(12-21)9-11-16/h3-11,13H,2,14H2,1H3