4-ethanoyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one

Systemtic Name: 4-ethanoyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one Openeye Name: 4-acetyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one CAS Name: 4-acetyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one IUPAC Name: 4-acetyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one Traditional Name: 4-acetyl-1,5-dimethyl-2-phenyl-3-pyrazolin-2-ium-3-one Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[NH+](N1C)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=O)[NH+](N1C)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C13H14N2O2/c1-9-12(10(2)16)13(17)15(14(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3/p+1