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

Systemtic Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C13H17F3N3S+ MolecularWeight: 304.35439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3S/c1-18-5-7-19(8-6-18)12(20)17-11-4-2-3-10(9-11)13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,20)/p+1