2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-ium-1-yl]acetate Formula: C13H14ClFN2O3 MolecularWeight: 300.713263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C=CC=C2Cl)F

InChI

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