(3S)-3-methyl-1-(2-methylsulfonylphenyl)piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-(2-methylsulfonylphenyl)piperazin-4-ium Openeye Name: (3S)-3-methyl-1-(2-methylsulfonylphenyl)piperazin-4-ium CAS Name: (3S)-3-methyl-1-(2-methylsulfonylphenyl)piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-(2-methylsulfonylphenyl)piperazin-4-ium Traditional Name: (3S)-1-(2-mesylphenyl)-3-methyl-piperazin-4-ium Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C12H18N2O2S/c1-10-9-14(8-7-13-10)11-5-3-4-6-12(11)17(2,15)16/h3-6,10,13H,7-9H2,1-2H3/p+1/t10-/m0/s1