1-(4-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C18H22FN2O2S2+ MolecularWeight: 381.507883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O2S2/c1-24-17-6-2-15(3-7-17)14-20-10-12-21(13-11-20)25(22,23)18-8-4-16(19)5-9-18/h2-9H,10-14H2,1H3/p+1