AC1Q1TAU
1-methyl-1-[[2-[8-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium diiodide
Also Known As: KST-1B3930|1,1'-(1,8-Octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpyrrolidinium) diiodide|1,8-Bis-(4'-pyrrolidinomethyl-1',3'-dioxolanyl-2')-octane dimethyl iodide|1,1'-[octane-1,8-diylbis(1,3-dioxolane-2,4-diylmethanediyl)]bis(1-methylpyrrolidinium) diiodide|Pyrrolidinium, 1,1'-(1,8-octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methyl-, diiodide|1,1-(1,8-Octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpyrrolidinium) diiodide|1,1'-[Octane-1,8-diylbis(1,3-dioxolane-2,4-diylmethylene)]bis(1-methylpyrrolidin-1-ium) diiodide|1,1'-{Octane-1,8-diylbis[(1,3-dioxolane-2,4-diyl)methylene]}bis(1-methylpyrrolidin-1-ium) diiodide|1-methyl-1-[[2-[8-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium diiodide
| Molecular Formula | C26H50I2N2O4 |
|---|---|
| Molecular Weight | 708.186 g/mol |
| LogP | -1.921 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 708.186 |
| Monoisotopic Mass | 708.186 |
| Heavy Atoms | 34 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 397-57-9 |
|---|---|
| SMILES | C[N+]1(CCCC1)CC2COC(O2)CCCCCCCCC3OCC(O3)C[N+]4(CCCC4)C.[I-].[I-] |
| InChIKey | SYMKFCVLLMWNCA-UHFFFAOYSA-L |
Product Overview
AC1Q1TAU (CAS 397-57-9), with molecular formula C26H50I2N2O4 and molecular weight 708.186 g/mol. IUPAC: 1-methyl-1-[[2-[8-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium diiodide.