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

Systemtic Name: 4-phenethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-phenethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-phenethyl-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-phenethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-phenethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C20H23F3N3S+ MolecularWeight: 394.47693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3S/c21-20(22,23)17-7-4-8-18(15-17)24-19(27)26-13-11-25(12-14-26)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,24,27)/p+1