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

Systemtic Name: ethyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrazol-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrazol-2-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=[N+](N(C(=C1)C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

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