Basic information
- CAS
33620-52-9- Standard SMILES
COC(=O)C[C@H](O)C[N+](C)(C)C.[Br-]- InChIKey
WAQDCJDFPCWFQK-FJXQXJEOSA-M- Molecular formula
- C8H18BrNO3
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.04701
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide
- IUPAC
- [(2S)-2-hydroxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
DTXSID7095525533620-52-92-Hydroxy-4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromideRefChem:1063378DTXCID501383256AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, BROMIDE, METHYL ESTER, (L)-L-(-)-Karnitinmethylesterbromid [German]L-(-)-Karnitinmethylesterbromid(L)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester(2S)-2-Hydroxy-4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide
Database identifiers
- CAS
33620-52-9- PubChem CID
- 36562
- DTXSID
DTXSID70955255
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…