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

Systemtic Name: 4-methyl-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[4-(trifluoromethoxy)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Formula: C13H17F3N3OS+ MolecularWeight: 320.35379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3OS/c1-18-6-8-19(9-7-18)12(21)17-10-2-4-11(5-3-10)20-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,21)/p+1