Basic information
- CAS
100210-92-2- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C1(O)CCCC1.[Br-]- InChIKey
SOYHSIJZNXLFTA-UHFFFAOYSA-M- Molecular formula
- C20H38BrNO3
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 419.20351
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxycyclopentyl)cyclohexaneacetate
- IUPAC
- 2-[2-cyclohexyl-2-(1-hydroxycyclopentyl)acetyl]oxyethyl-diethyl-methylazanium bromide
Names & synonyms
Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxycyclopentyl)cyclohexaneacetate100210-92-2Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxycyclopentyl)cyclohexaneacetateRefChem:319220DTXSID009052682-{[Cyclohexyl(1-hydroxycyclopentyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium bromide
Database identifiers
- CAS
100210-92-2- PubChem CID
- 57640
- DTXSID
DTXSID00905268
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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