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

Systemtic Name: N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbothioamide Formula: C14H19F3N3S+ MolecularWeight: 318.38097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3S/c1-18-13(21)20-8-6-19(7-9-20)10-11-2-4-12(5-3-11)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)/p+1