1-[(4-methylsulfanylphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C18H23N2O2S2+ MolecularWeight: 363.51742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-23-17-9-7-16(8-10-17)15-19-11-13-20(14-12-19)24(21,22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/p+1