2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(2S)-3-oxo-2-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(2S)-3-ketopiperazin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C13H15F3N3O2+ MolecularWeight: 302.27231

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O2/c14-13(15,16)8-2-1-3-9(6-8)19-11(20)7-10-12(21)18-5-4-17-10/h1-3,6,10,17H,4-5,7H2,(H,18,21)(H,19,20)/p+1/t10-/m0/s1