4-[(2S)-2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[(2S)-2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-4-ium-2-one Traditional Name: 4-[(2S)-2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-4-ium-2-one Formula: C12H16FN2O2+ MolecularWeight: 239.266043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)11(16)7-15-6-5-14-12(17)8-15/h1-4,11,16H,5-8H2,(H,14,17)/p+1/t11-/m1/s1