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

Systemtic Name: 4-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C19H21F3N3S+ MolecularWeight: 380.45035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3S/c20-19(21,22)16-7-4-8-17(13-16)23-18(26)25-11-9-24(10-12-25)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,23,26)/p+1