N-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-ethyl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbothioamide Formula: C15H21F3N3S+ MolecularWeight: 332.40755

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H20F3N3S/c1-2-19-14(22)21-8-6-20(7-9-21)11-12-4-3-5-13(10-12)15(16,17)18/h3-5,10H,2,6-9,11H2,1H3,(H,19,22)/p+1