Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide
Basic information
- CAS
4677-60-5- Standard SMILES
Cc1cccc(C)c1NC(=O)C[N+](C)(C)CC(=O)Nc1c(C)cccc1Cl.[Br-]- InChIKey
RXBYCKQMMVFWAC-UHFFFAOYSA-N- Molecular formula
- C21H27BrClN3O2
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 467.09752
Names & identifiers
- Preferred name
- Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide
- IUPAC
- [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide
Names & synonyms
Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide(((6-Chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)ammonium bromide4677-60-5[[(6-Chloro-o-tolyl)carbamoyl]methyl]dimethyl[(2,6-xylylcarbamoyl)methyl]ammonium bromideRefChem:318606DTXSID509636562-(2-Chloro-6-methylanilino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N-dimethyl-2-oxoethan-1-aminium bromide
Database identifiers
- CAS
4677-60-5- PubChem CID
- 20800
- DTXSID
DTXSID50963656
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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