(3R)-3-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperidin-1-ium

Systemtic Name: (3R)-3-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperidin-1-ium Openeye Name: (3R)-3-methyl-1-[(1S)-1-methyl-2-(p-tolylsulfonyl)ethyl]piperidin-1-ium CAS Name: (3R)-3-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperidin-1-ium IUPAC Name: (3R)-3-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperidin-1-ium Traditional Name: (3R)-3-methyl-1-[(1S)-1-methyl-2-tosyl-ethyl]piperidin-1-ium Formula: C16H26NO2S+ MolecularWeight: 296.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)[C@@H](C)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H25NO2S/c1-13-6-8-16(9-7-13)20(18,19)12-15(3)17-10-4-5-14(2)11-17/h6-9,14-15H,4-5,10-12H2,1-3H3/p+1/t14-,15+/m1/s1