[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C14H20NO3S+ MolecularWeight: 282.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C14H19NO3S/c1-11-2-4-13(5-3-11)19(16,17)18-14-10-15-8-6-12(14)7-9-15/h2-5,12,14H,6-10H2,1H3/p+1/t14-/m0/s1