N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C13H14ClF3N3O2+ MolecularWeight: 336.71737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClF3N3O2/c14-9-2-1-7(5-8(9)13(15,16)17)20-11(21)6-10-12(22)19-4-3-18-10/h1-2,5,10,18H,3-4,6H2,(H,19,22)(H,20,21)/p+1/t10-/m0/s1