Basic information
- CAS
98843-98-2- Standard SMILES
CCC(O)C(C(=O)OCC[N+](C)(CC)CC)C1CCCCC1.[Br-]- InChIKey
CNQIVBVGPHOISR-UHFFFAOYSA-M- Molecular formula
- C18H36BrNO3
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 393.18786
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxypropyl)cyclohexaneacetate
- IUPAC
- 2-(2-cyclohexyl-3-hydroxypentanoyl)oxyethyl-diethyl-methylazanium bromide
Names & synonyms
Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxypropyl)cyclohexaneacetate98843-98-2Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxypropyl)cyclohexaneacetateRefChem:319221DTXSID509130552-[(2-Cyclohexyl-3-hydroxypentanoyl)oxy]-N,N-diethyl-N-methylethan-1-aminium bromide
Database identifiers
- CAS
98843-98-2- PubChem CID
- 57445
- DTXSID
DTXSID50913055
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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