2-[(2R,4S,5R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2R,4S,5R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3R,4S,6R)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2R,4S,5R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxy-4-quinolinyl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethyl ester IUPAC Name: 2-[(2R,4S,5R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3R,4S,6R)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-yl]ethyl ester Formula: C33H46N2O5SSi MolecularWeight: 610.87924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CN3CCC2CC3C(C4=C5C=C(C=CC5=NC=C4)OC)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2CN3CC[C@H]2C[C@@H]3[C@H](C4=C5C=C(C=CC5=NC=C4)OC)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C33H46N2O5SSi/c1-23-8-11-27(12-9-23)41(36,37)39-19-16-25-22-35-18-15-24(25)20-31(35)32(40-42(6,7)33(2,3)4)28-14-17-34-30-13-10-26(38-5)21-29(28)30/h8-14,17,21,24-25,31-32H,15-16,18-20,22H2,1-7H3/t24-,25-,31+,32-/m0/s1