2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C16H24FN4OS+ MolecularWeight: 339.451363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN4OS/c1-19(2)15(22)12-20-7-9-21(10-8-20)16(23)18-11-13-3-5-14(17)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,23)/p+1