4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=[N+](N1)CC2=CC=C(C=C2)C(=O)[O-])C

InChI

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