4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[(4-fluorophenyl)thio]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[(4-fluorophenyl)thio]ethyl]piperazin-4-ium-2-one Formula: C12H16FN2OS+ MolecularWeight: 255.331643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C12H15FN2OS/c13-10-1-3-11(4-2-10)17-8-7-15-6-5-14-12(16)9-15/h1-4H,5-9H2,(H,14,16)/p+1