AC1NSAHG
(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
Also Known As: (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride|(1S,4aS,8aR)-4a-Hydroxy-1-(3,4,5-trimethoxyphenyl)decahydroisoquinolin-2-ium chloride|(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol Chloride|(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
| Molecular Formula | C18H28ClNO4 |
|---|---|
| Molecular Weight | 357.1707 g/mol |
| LogP | -1.3541 |
| Topological Polar Surface Area | 64.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1707 |
| Monoisotopic Mass | 357.1707 |
| Heavy Atoms | 24 |
| Complexity | 538.9449 |
Chemical Identifiers
| CAS Number | 5115-75-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CCCC[C@@]3(CC[NH2+]2)O.[Cl-] |
Product Overview
AC1NSAHG (CAS 5115-75-3), with molecular formula C18H28ClNO4 and molecular weight 357.1707 g/mol. IUPAC: (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride.
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