2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H14ClFN2O3 MolecularWeight: 300.713263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClFN2O3/c14-9-2-1-8(5-10(9)15)7-17-4-3-16-13(20)11(17)6-12(18)19/h1-2,5,11H,3-4,6-7H2,(H,16,20)(H,18,19)