2-Heptadecyl-4,5-dihydro-1-methyl-1-(3-((1-oxooctadecyl)amino)propyl)-1-H-imidazolium methyl sulphate
Basic information
- CAS
94022-79-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
MWKYIBACLFRTJC-UHFFFAOYSA-N- Molecular formula
- C43H87N3O5S
- Average molar mass
- 758.2 g/mol
- Monoisotopic mass
- 757.63664406
Names & identifiers
- Preferred name
- 2-Heptadecyl-4,5-dihydro-1-methyl-1-(3-((1-oxooctadecyl)amino)propyl)-1-H-imidazolium methyl sulphate
- IUPAC
- N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide;methyl sulfate
Names & synonyms
EINECS 301-575-394022-79-42-Heptadecyl-4,5-dihydro-1-methyl-1-(3-((1-oxooctadecyl)amino)propyl)-1-H-imidazolium methyl sulphate
Database identifiers
- CAS
94022-79-4- PubChem CID
- 44145409
- EC Number
- 301-575-3
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 36
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 783
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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