(2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide

Systemtic Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(2-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=CC=C2F)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C2=CC=CC=C2F)C(=S)N

InChI

InChI=1S/C13H18FN3S/c1-16-6-8-17(9-7-16)12(13(15)18)10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3,(H2,15,18)/p+1/t12-/m0/s1