1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-3-thiomorpholin-4-yl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-3-thiomorpholin-4-yl-propanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-3-thiomorpholino-propanoate CAS Name: 2-hydroxy-2-phenyl-3-thiomorpholin-4-ylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-3-thiomorpholin-4-ylpropanoate Traditional Name: 2-hydroxy-2-phenyl-3-thiomorpholino-propionic acid quinuclidin-3-yl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CN3CCSCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CN3CCSCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H28N2O3S/c23-19(25-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-26-13-11-22/h1-5,16,18,24H,6-15H2