2-[1-[[2,3-bis(fluoranyl)phenyl]methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[[2,3-bis(fluoranyl)phenyl]methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2,3-difluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H14F2N2O3 MolecularWeight: 284.258666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2N2O3/c14-9-3-1-2-8(12(9)15)7-17-5-4-16-13(20)10(17)6-11(18)19/h1-3,10H,4-7H2,(H,16,20)(H,18,19)