(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3S/c1-10(13(15)18)16-6-8-17(9-7-16)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H2,15,18)/p+1/t10-/m0/s1