Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Quinamm 6119-70-6 61367

Structure Other Information
Canonical SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
Iso SMILES COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O
InChI InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14?,19-,20+;;;/m00.../s1
InChI Key ZHNFLHYOFXQIOW-LRXYSQQVSA-N
Formula C40H54N4O10S
Mol Weight 782.943
XlogP3 0
Charge 0

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Synonyms Information
CAS Name (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol; sulfuric acid; dihydrate
IUPAC Name (R)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol; sulfuric acid; dihydrate
Openeye Name (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
Systematic Name (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate
Tratitional Name (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate