(8-methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (8-methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate Openeye Name: (8-methyl-3-methylene-8-azabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-methyl-3-methylene-8-azabicyclo[3.2.1]octan-6-yl) ester IUPAC Name: (8-methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-methyl-3-methylene-8-azabicyclo[3.2.1]octan-6-yl) ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC(=C)CC2N3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC(=C)CC2N3C

InChI

InChI=1S/C16H21NO3S/c1-11-4-6-14(7-5-11)21(18,19)20-16-10-13-8-12(2)9-15(16)17(13)3/h4-7,13,15-16H,2,8-10H2,1,3H3