2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-chloro-6-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H14ClFN2O3 MolecularWeight: 300.713263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=C(C=CC=C2Cl)F

InChI

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