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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFN3O2/c13-8-5-7(1-2-9(8)14)17-11(18)6-10-12(19)16-4-3-15-10/h1-2,5,10,15H,3-4,6H2,(H,16,19)(H,17,18)/p+1/t10-/m0/s1