Sintropium
[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
Also Known As: Sintropium|Sintropium ion|Sintropium cation|8-Azoniabicyclo(3.2.1)octane, 8-methyl-8-(1-methylethyl)-3-((1-oxo-2-propylpentyl)oxy)-, (3-endo,8-syn)-|[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate|(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]oct-3-yl) 2-propylpentanoate|[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
| Molecular Formula | C19H36NO2+ |
|---|---|
| Molecular Weight | 310.2746 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.2746 |
| Monoisotopic Mass | 310.2746 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 768313-41-3 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C(C)C |
| InChIKey | NCCCVLZKNQKUCJ-ZVBHREPYSA-N |
Product Overview
Sintropium (CAS 768313-41-3), with molecular formula C19H36NO2+ and molecular weight 310.2746 g/mol. IUPAC: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate.
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