RefChem:378131
3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide
Also Known As: 1-methyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]pyrrolidinium iodide|Pyrrolidinium, 1-(2-(1,3-dihydro-2-oxo-3,5,7-trimethyl-2H-azepin-1-yl)ethyl)-1-methyl-, iodide|3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide|3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one;iodide|1-Methyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1H-azepin-1-yl)ethyl]pyrrolidin-1-ium iodide
| Molecular Formula | C16H27IN2O |
|---|---|
| Molecular Weight | 390.11682 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.11682 |
| Heavy Atoms | 20 |
| Complexity | 422.2 |
Chemical Identifiers
| CAS Number | 1676-26-2 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC[N+]2(CCCC2)C)C)C.[I-] |
Product Overview
RefChem:378131 (CAS 1676-26-2), with molecular formula C16H27IN2O and molecular weight 390.11682 g/mol. IUPAC: 3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide.
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