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

Systemtic Name: methyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate Openeye Name: methyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrazol-2-iumcarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid methyl ester Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C13H15N2O2/c1-10-9-12(13(16)17-3)14(2)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3/q+1