tert-butyl 2-[(3R)-3-oxidanyl-1-azoniabicyclo[2.2.2]octan-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R)-3-oxidanyl-1-azoniabicyclo[2.2.2]octan-3-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-3-hydroxyquinuclidin-1-ium-3-yl]acetate CAS Name: 2-[(3R)-3-hydroxy-1-azoniabicyclo[2.2.2]octan-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-hydroxy-1-azoniabicyclo[2.2.2]octan-3-yl]acetate Traditional Name: 2-[(3R)-3-hydroxyquinuclidin-1-ium-3-yl]acetic acid tert-butyl ester Formula: C13H24NO3+ MolecularWeight: 242.33456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C[NH+]2CCC1CC2)O

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@]1(C[NH+]2CCC1CC2)O

InChI

InChI=1S/C13H23NO3/c1-12(2,3)17-11(15)8-13(16)9-14-6-4-10(13)5-7-14/h10,16H,4-9H2,1-3H3/p+1/t13-/m0/s1