(3S,5S)-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperazin-4-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperazin-4-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperazin-4-ium CAS Name: (3S,5S)-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-4-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-4-ium Traditional Name: (3S,5S)-1-mesitylsulfonyl-3,5-dimethyl-piperazin-4-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C15H24N2O2S/c1-10-6-11(2)15(12(3)7-10)20(18,19)17-8-13(4)16-14(5)9-17/h6-7,13-14,16H,8-9H2,1-5H3/p+1/t13-,14-/m0/s1