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

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-methylsulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C13H21N2O2S2+ MolecularWeight: 301.44804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-18-13-5-3-12(4-6-13)11-14-7-9-15(10-8-14)19(2,16)17/h3-6H,7-11H2,1-2H3/p+1