1-[(4-methylsulfanylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C20H24F3N2S+ MolecularWeight: 381.47817

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

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