(S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoate

Systemtic Name: (S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoate Openeye Name: (S)-(6-methoxy-4-quinolyl)-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]methanol; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate CAS Name: (S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate IUPAC Name: (S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate Traditional Name: (S)-(6-methoxy-4-quinolyl)-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]methanol; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoate Formula: C26H33N2O9- MolecularWeight: 517.54822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(=O)C(C(C(C(C(=O)[O-])O)O)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@@H]4C=C)O.C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O

InChI

InChI=1S/C20H24N2O2.C6H10O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5,8-11H,(H,12,13)/p-1/t13-,14+,19+,20-;2-,3+,4+,5-/m00/s1