N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H14ClF3N3O2+ MolecularWeight: 336.71737

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

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