Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
Basic information
- CAS
5369-06-2- Standard SMILES
C=CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C.[Cl-]- InChIKey
LCEBZNSOOSMNDL-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O
- Average molar mass
- 310.9 g/mol
- Monoisotopic mass
- 310.1811912
Names & identifiers
- Preferred name
- Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
- IUPAC
- [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride
Names & synonyms
Allyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chlorideAMMONIUM, ALLYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)-, CHLORIDE5369-06-2RefChem:319157
Database identifiers
- CAS
5369-06-2- PubChem CID
- 21463
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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