N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C12H14ClFN3O2+ MolecularWeight: 286.709863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFN3O2/c13-9-5-8(1-2-10(9)14)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)/p+1