[(3S,4S)-1,3-dimethylpiperidin-1-ium-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4S)-1,3-dimethylpiperidin-1-ium-4-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4S)-1,3-dimethylpiperidin-1-ium-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4S)-1,3-dimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(3S,4S)-1,3-dimethylpiperidin-1-ium-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4S)-1,3-dimethylpiperidin-1-ium-4-yl] ester Formula: C14H22NO3S+ MolecularWeight: 284.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCC1OS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

C[C@H]1C[NH+](CC[C@@H]1OS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(16,17)18-14-8-9-15(3)10-12(14)2/h4-7,12,14H,8-10H2,1-3H3/p+1/t12-,14-/m0/s1