2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H15FN2O3 MolecularWeight: 266.268203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O3/c14-10-3-1-9(2-4-10)8-16-6-5-15-13(19)11(16)7-12(17)18/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m1/s1