2-[azido-azidooxy-(6-methoxyquinolin-4-yl)methyl]-5-ethenyl-1-azabicyclo[2.2.2]octane-2-sulfonic acid

Systemtic Name: 2-[azido-azidooxy-(6-methoxyquinolin-4-yl)methyl]-5-ethenyl-1-azabicyclo[2.2.2]octane-2-sulfonic acid Openeye Name: 2-[azido-azidooxy-(6-methoxy-4-quinolyl)methyl]-5-vinyl-quinuclidine-2-sulfonic acid CAS Name: 2-[azido-azidooxy-(6-methoxy-4-quinolinyl)methyl]-5-ethenyl-1-azabicyclo[2.2.2]octane-2-sulfonic acid IUPAC Name: 2-[azido-azidooxy-(6-methoxyquinolin-4-yl)methyl]-5-ethenyl-1-azabicyclo[2.2.2]octane-2-sulfonic acid Traditional Name: 2-[azido-azidooxy-(6-methoxy-4-quinolyl)methyl]-5-vinyl-quinuclidine-2-sulfonic acid Formula: C20H22N8O5S MolecularWeight: 486.50428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3(CC4CCN3CC4C=C)S(=O)(=O)O)(N=[N+]=[N-])ON=[N+]=[N-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3(CC4CCN3CC4C=C)S(=O)(=O)O)(N=[N+]=[N-])ON=[N+]=[N-]

InChI

InChI=1S/C20H22N8O5S/c1-3-13-12-28-9-7-14(13)11-19(28,34(29,30)31)20(24-25-21,33-27-26-22)17-6-8-23-18-5-4-15(32-2)10-16(17)18/h3-6,8,10,13-14H,1,7,9,11-12H2,2H3,(H,29,30,31)