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

Systemtic Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C15H22FN4OS+ MolecularWeight: 325.424783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN4OS/c1-17-14(21)11-19-6-8-20(9-7-19)15(22)18-10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22)/p+1