Basic information
- CAS
4169-35-1- Standard SMILES
Cc1cccc(C)c1NC(=O)C[N+](C)(C)C(C)C(=O)Nc1c(C)cccc1C.[Cl-]- InChIKey
QDTVNCVZQZIOEP-UHFFFAOYSA-N- Molecular formula
- C23H32ClN3O2
- Average molar mass
- 418 g/mol
- Monoisotopic mass
- 417.218305
Names & identifiers
- Preferred name
- Ammonium, dimethyl(1-(2,6-xylylcarbamoyl)ethyl)((2,6-xylylcarbamoyl)methyl)-, chloride
- IUPAC
- [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylazanium chloride
Names & synonyms
4169-35-1Dimethyl(1-(2,6-xylylcarbamoyl)ethyl)((2,6-xylylcarbamoyl)methyl)ammonium chlorideAmmonium, dimethyl(1-(2,6-xylylcarbamoyl)ethyl)((2,6-xylylcarbamoyl)methyl)-, chlorideRefChem:319299
Database identifiers
- CAS
4169-35-1- PubChem CID
- 20132
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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