1-[(4-methylsulfanylphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-[4-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C20H24F3N2S+ MolecularWeight: 381.47817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2S/c1-26-19-8-4-17(5-9-19)15-25-12-10-24(11-13-25)14-16-2-6-18(7-3-16)20(21,22)23/h2-9H,10-15H2,1H3/p+1