N,N-dimethyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[[4-(trifluoromethyl)phenyl]thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C16H22F3N4OS+ MolecularWeight: 375.43229

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H21F3N4OS/c1-21(2)14(24)11-22-7-9-23(10-8-22)15(25)20-13-5-3-12(4-6-13)16(17,18)19/h3-6H,7-11H2,1-2H3,(H,20,25)/p+1