(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;(E)-3-phenylprop-2-enoic acid
Also Known As: EINECS 208-974-0|(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate|2-Propenoic acid, 3-phenyl-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)|Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, mono(3-phenyl-2-propenoate) (salt)|(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol,(E)-3-phenylprop-2-enoic acid|(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; (E)-3-phenylprop-2-enoic acid
| Molecular Formula | C29H32N2O4 |
|---|---|
| Molecular Weight | 472.2362 g/mol |
| LogP | 4.9576 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.2362 |
| Monoisotopic Mass | 472.2362 |
| Heavy Atoms | 35 |
| Complexity | 1193.7659 |
Chemical Identifiers
| CAS Number | 549-64-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)/C=C/C(=O)O |
Product Overview
(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate (CAS 549-64-4), with molecular formula C29H32N2O4 and molecular weight 472.2362 g/mol. IUPAC: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;(E)-3-phenylprop-2-enoic acid.