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

Systemtic Name: 2-[1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(3-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(=CC=C2)F

Isomeric SMILES

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

InChI

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