1-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-ium Openeye Name: 1-methyl-4-(o-tolylmethylsulfonyl)piperazin-1-ium CAS Name: 1-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-methyl-4-(2-methylbenzyl)sulfonyl-piperazin-1-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N2O2S/c1-12-5-3-4-6-13(12)11-18(16,17)15-9-7-14(2)8-10-15/h3-6H,7-11H2,1-2H3/p+1