2-[4-[2,3,4-tris(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[2,3,4-tris(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[oxo-(2,3,4-trifluorophenyl)methyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-ium-1-yl]acetate Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C13H13F3N2O3/c14-9-2-1-8(11(15)12(9)16)13(21)18-5-3-17(4-6-18)7-10(19)20/h1-2H,3-7H2,(H,19,20)