1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid

Systemtic Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid Openeye Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid CAS Name: 1,2-dimethyl-5-phenyl-3-pyrazol-1-iumcarboxylic acid IUPAC Name: 1,2-dimethyl-5-phenylpyrazol-1-ium-3-carboxylic acid Traditional Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid Formula: C12H13N2O2+ MolecularWeight: 217.24382

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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/p+1