(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
| Molecular Formula | C25H35BrN2O2 |
|---|---|
| Molecular Weight | 475.5 g/mol |
| Topological Polar Surface Area | 42.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.1882 |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 63717-09-9 |
|---|---|
| SMILES | CC(C)CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-] |
| InChIKey | KQNVLZYYDYGQMY-LBCIAOCBSA-M |
📖 Product Overview
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide (CAS: 63717-09-9) is a chemical compound with molecular formula C25H35BrN2O2 and molecular weight 475.5 g/mol. Its IUPAC systematic name is (S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide.
KQNVLZYYDYGQMY-LBCIAOCBSA-M.
SMILES: CC(C)CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-].
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