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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2/c22-21(23,24)20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/p+1/b7-4+