1-methyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-mesylphenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H19N2O4S2+ MolecularWeight: 319.42026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C12H18N2O4S2/c1-13-6-8-14(9-7-13)20(17,18)12-5-3-4-11(10-12)19(2,15)16/h3-5,10H,6-9H2,1-2H3/p+1