2-[3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-[3-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]acetate Formula: C14H15F3N2O3 MolecularWeight: 316.27571

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-1-2-9(6-10)8-19-5-4-18-13(22)11(19)7-12(20)21/h1-3,6,11H,4-5,7-8H2,(H,18,22)(H,20,21)