1-[(4-methylsulfanylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C19H22F3N2S+ MolecularWeight: 367.45159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N2S/c1-25-18-7-5-15(6-8-18)14-23-9-11-24(12-10-23)17-4-2-3-16(13-17)19(20,21)22/h2-8,13H,9-12,14H2,1H3/p+1