RefChem:373422
1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide
Also Known As: KST-1B3651|Piperidinium, 1-(2-bromo-4,5-diethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide|1-(2-bromo-4,5-diethoxybenzyl)-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl}piperidinium bromide|1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide|1-[(2-Bromo-4,5-diethoxyphenyl)methyl]-1-{2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl}piperidin-1-ium bromide|Piperidinium, 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]-, bromide
| Molecular Formula | C29H47Br2NO3 |
|---|---|
| Molecular Weight | 615.19226 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 617.19025 |
| Heavy Atoms | 35 |
| Complexity | 807.4 |
Chemical Identifiers
| CAS Number | 35690-13-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C[N+]2(CCCCC2)CCOCCC3CCC4CC3C4(C)C)Br)OCC.[Br-] |
Product Overview
RefChem:373422 (CAS 35690-13-2), with molecular formula C29H47Br2NO3 and molecular weight 615.19226 g/mol. IUPAC: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium bromide.
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