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

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C19H25N2O2S2+ MolecularWeight: 377.544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1