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

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-ium-1-yl]acetate Formula: C13H14F2N2O3 MolecularWeight: 284.258666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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