N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C15H21FN3O2S+ MolecularWeight: 326.409543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C15H20FN3O2S/c16-13-4-2-1-3-12(13)11-22-8-6-18-15(21)10-19-7-5-17-14(20)9-19/h1-4H,5-11H2,(H,17,20)(H,18,21)/p+1