2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Formula: C12H13F3N3O2+ MolecularWeight: 288.24573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O2/c13-7-1-2-8(12(15)11(7)14)17-10(20)6-18-4-3-16-9(19)5-18/h1-2H,3-6H2,(H,16,19)(H,17,20)/p+1