[(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate; methyl sulfate

Systemtic Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate; methyl sulfate Openeye Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate; methyl sulfate CAS Name: methyl sulfate; 2-phenyl-1-cyclohex-2-enecarboxylic acid [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate; methyl sulfate Traditional Name: methyl sulfate; 2-phenylcyclohex-2-ene-1-carboxylic acid [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C24H35NO6S MolecularWeight: 465.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H32NO2.CH4O4S/c1-3-24(2)18-13-14-19(24)16-20(15-18)26-23(25)22-12-8-7-11-21(22)17-9-5-4-6-10-17;1-5-6(2,3)4/h4-6,9-11,18-20,22H,3,7-8,12-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t18-,19+,20?,22?,24?;