1-Propanaminium, N,N,N-trimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, methyl sulfate
Basic information
- CAS
60585-57-1- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
UENGIFWPRSJISU-UHFFFAOYSA-N- Molecular formula
- C25H52N2O5S
- Average molar mass
- 492.8 g/mol
- Monoisotopic mass
- 492.35969394
Names & identifiers
- Preferred name
- 1-Propanaminium, N,N,N-trimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, methyl sulfate
- IUPAC
- methyl sulfate;trimethyl-[3-(octadec-9-enoylamino)propyl]azanium
Names & synonyms
1-Propanaminium, N,N,N-trimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, methyl sulfate
Database identifiers
- CAS
60585-57-1- PubChem CID
- 108973
- DTXSID
DTXSID0069410
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…