2-Buten-1-aminium, 4-methoxy-N,N,N-trimethyl-4-oxo-
Basic information
- CAS
51314-34-2- Standard SMILES
COC(=O)C=CC[N+](C)(C)C- InChIKey
XLABSPGRHBOJCV-UHFFFAOYSA-N- Molecular formula
- C8H16NO2+
- Average molar mass
- 158.22 g/mol
- Monoisotopic mass
- 158.11810375
Names & identifiers
- Preferred name
- 2-Buten-1-aminium, 4-methoxy-N,N,N-trimethyl-4-oxo-
- IUPAC
- (4-methoxy-4-oxobut-2-enyl)-trimethylazanium
- English name
- (3-methoxycarbonyl-allyl)-trimethyl-ammonium
- Molecular formula
- C8H16NO2
- Molecular weight
- 158.22
Names & synonyms
51314-34-22-Buten-1-aminium, 4-methoxy-N,N,N-trimethyl-4-oxo-(4-methoxy-4-oxobut-2-enyl)-trimethylazaniumLevocarnitine Impurity 5Levocarnitine Impurity N254-methoxy-n,n,n-trimethyl-4-oxobut-2-en-1-aminiumDTXSID60275419(4-METHOXY-4-OXOBUT-2-EN-1-YL)TRIMETHYLAZANIUMLevocarnitine Impurity E(3-methoxycarbonyl-allyl)-trimethyl-ammonium
Database identifiers
- CAS
51314-34-2- PubChem CID
- 39980
- DTXSID
DTXSID60275419
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 156
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Compound notes
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