ethyl (3E)-3-(3,5,5-trimethyl-4H-pyrazol-1-ium-1-ylidene)butanoate

Systemtic Name: ethyl (3E)-3-(3,5,5-trimethyl-4H-pyrazol-1-ium-1-ylidene)butanoate Openeye Name: ethyl (3E)-3-(3,5,5-trimethyl-4H-pyrazol-1-ium-1-ylidene)butanoate CAS Name: (3E)-3-(3,5,5-trimethyl-4H-pyrazol-1-ium-1-ylidene)butanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(3,5,5-trimethyl-4H-pyrazol-1-ium-1-ylidene)butanoate Traditional Name: (3E)-3-(3,5,5-trimethyl-2-pyrazolin-1-ium-1-ylidene)butyric acid ethyl ester Formula: C12H21N2O2+ MolecularWeight: 225.30734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=[N+]1C(CC(=N1)C)(C)C)C

Isomeric SMILES

CCOC(=O)C/C(=[N+]/1\C(CC(=N1)C)(C)C)/C

InChI

InChI=1S/C12H21N2O2/c1-6-16-11(15)7-10(3)14-12(4,5)8-9(2)13-14/h6-8H2,1-5H3/q+1/b14-10+