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

Systemtic Name: ethyl 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate Openeye Name: ethyl 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate CAS Name: 1,2-dimethyl-5-phenyl-3-pyrazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-dimethyl-5-phenylpyrazol-1-ium-3-carboxylate Traditional Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid ethyl ester Formula: C14H17N2O2+ MolecularWeight: 245.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[N+](N1C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=[N+](N1C)C)C2=CC=CC=C2

InChI

InChI=1S/C14H17N2O2/c1-4-18-14(17)13-10-12(15(2)16(13)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/q+1