(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride
(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride
| Molecular Formula | C20H30ClNO5 |
|---|---|
| Molecular Weight | 399.9 g/mol |
| Topological Polar Surface Area | 58.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.18124 |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 57464-37-6 |
|---|---|
| SMILES | C[NH+]1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-] |
| InChIKey | MGULVNWJHKOYIJ-UHFFFAOYSA-N |
📖 Product Overview
(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride (CAS: 57464-37-6) is a chemical compound with molecular formula C20H30ClNO5 and molecular weight 399.9 g/mol. Its IUPAC systematic name is (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride.
MGULVNWJHKOYIJ-UHFFFAOYSA-N.
SMILES: C[NH+]1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-].
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