1-azabicyclo[2.2.2]octan-3-yl 4-chloranyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-chloranyl-2,5-dimethyl-benzenesulfonate Openeye Name: quinuclidin-3-yl 4-chloro-2,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-2,5-dimethylbenzenesulfonic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-chloro-2,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-2,5-dimethyl-benzenesulfonic acid quinuclidin-3-yl ester Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2CN3CCC2CC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2CN3CCC2CC3

InChI

InChI=1S/C15H20ClNO3S/c1-10-8-15(11(2)7-13(10)16)21(18,19)20-14-9-17-5-3-12(14)4-6-17/h7-8,12,14H,3-6,9H2,1-2H3