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

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C20H22F3N2O2S+ MolecularWeight: 411.46109

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c21-20(22,23)18-10-4-5-11-19(18)28(26,27)25-15-13-24(14-16-25)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/p+1/b9-6+