Isoarecoline methiodide
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate iodide
Also Known As: Isoarecoline methiodide|4-(methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridinium iodide|Pyridinium, 1,2,3,6-tetrahydro-4-(methoxycarbonyl)-1,1-dimethyl-, iodide|4-(Methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide|methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate iodide|methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate,iodide|Pyridinium,1,2,3,6-tetrahydro-4-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
| Molecular Formula | C9H16INO2 |
|---|---|
| Molecular Weight | 297.02258 g/mol |
| LogP | -2.4301 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.02258 |
| Monoisotopic Mass | 297.02258 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 52632-31-2 |
|---|---|
| SMILES | C[N+]1(CCC(=CC1)C(=O)OC)C.[I-] |
| InChIKey | QZESFHFVKXPYHG-UHFFFAOYSA-M |
Product Overview
Isoarecoline methiodide (CAS 52632-31-2), with molecular formula C9H16INO2 and molecular weight 297.02258 g/mol. IUPAC: methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate iodide.
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