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

Systemtic Name: N-cyclopropyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbothioamide Formula: C16H21F3N3S+ MolecularWeight: 344.41825

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H20F3N3S/c17-16(18,19)13-3-1-2-12(10-13)11-21-6-8-22(9-7-21)15(23)20-14-4-5-14/h1-3,10,14H,4-9,11H2,(H,20,23)/p+1