2-[1-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[[2-ethyl-5-(trifluoromethyl)-3-pyrazolyl]methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-yl]acetate Formula: C14H20F3N3O2 MolecularWeight: 319.32271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(F)(F)F)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=N1)C(F)(F)F)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C14H20F3N3O2/c1-2-20-11(8-12(18-20)14(15,16)17)9-19-5-3-10(4-6-19)7-13(21)22/h8,10H,2-7,9H2,1H3,(H,21,22)