1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate

Systemtic Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate Openeye Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate CAS Name: 1,2-dimethyl-5-phenyl-3-pyrazol-1-iumcarboxylate IUPAC Name: 1,2-dimethyl-5-phenylpyrazol-1-ium-3-carboxylate Traditional Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N2O2/c1-13-10(9-6-4-3-5-7-9)8-11(12(15)16)14(13)2/h3-8H,1-2H3