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

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[3-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C21H24F3N2+ MolecularWeight: 361.42387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2/c22-21(23,24)20-10-4-8-19(16-20)17-26-14-12-25(13-15-26)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15,17H2/p+1/b9-5+