(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CCC(C2(C)C)CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CCC(C2(C)C)CC3

InChI

InChI=1S/C16H23NO3S/c1-12-4-10-15(11-5-12)21(18,19)20-17-14-8-6-13(7-9-14)16(17,2)3/h4-5,10-11,13-14H,6-9H2,1-3H3