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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

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