2-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C14H20FN2OS+ MolecularWeight: 283.384803

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H19FN2OS/c1-16-6-8-17(9-7-16)14(18)11-19-10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3/p+1