(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-piperazin-4-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-piperazin-4-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-(p-tolylsulfonyl)piperazin-4-ium CAS Name: (3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium Traditional Name: (3S,5S)-3,5-dimethyl-1-tosyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-10-4-6-13(7-5-10)18(16,17)15-8-11(2)14-12(3)9-15/h4-7,11-12,14H,8-9H2,1-3H3/p+1/t11-,12-/m0/s1