4-[(E)-3-phenylprop-2-enyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C21H23F3N3S+ MolecularWeight: 406.48763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3S/c22-21(23,24)18-9-4-10-19(16-18)25-20(28)27-14-12-26(13-15-27)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,25,28)/p+1/b8-5+