N-methyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-2-[4-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-methyl-2-[4-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C16H21F3N3O2S+ MolecularWeight: 376.41705

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H20F3N3O2S/c1-20-14(23)10-21-5-7-22(8-6-21)15(24)11-25-13-4-2-3-12(9-13)16(17,18)19/h2-4,9H,5-8,10-11H2,1H3,(H,20,23)/p+1