2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)ethanoate Openeye Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)acetate CAS Name: 2-(1-ethyl-3-phenyl-1-pyrazol-1-iumyl)acetate IUPAC Name: 2-(1-ethyl-3-phenylpyrazol-1-ium-1-yl)acetate Traditional Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)acetate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-2-15(10-13(16)17)9-8-12(14-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3