2-[4-[2-(2-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(2-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[2-[(2-fluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[2-[(2-fluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C15H21FN3O2S+ MolecularWeight: 326.409543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C15H20FN3O2S/c1-17-14(20)10-18-6-8-19(9-7-18)15(21)11-22-13-5-3-2-4-12(13)16/h2-5H,6-11H2,1H3,(H,17,20)/p+1