[(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate

Systemtic Name: [(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate Openeye Name: [(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-morpholinopropanoate CAS Name: 3-(4-morpholinyl)propanoic acid [(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate Traditional Name: 3-morpholinopropionic acid [(1S,5R)-8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1[NH+]2CCC3=CC=CC=C3)OC(=O)CCN4CCOCC4

Isomeric SMILES

C1C[C@H]2CC(C[C@@H]1[NH+]2CCC3=CC=CC=C3)OC(=O)CCN4CCOCC4

InChI

InChI=1S/C22H32N2O3/c25-22(9-10-23-12-14-26-15-13-23)27-21-16-19-6-7-20(17-21)24(19)11-8-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/p+1/t19-,20+,21?