Basic information
- CAS
64048-30-2- Standard SMILES
COS(=O)(=O)[O-].C[N+](CCCl)(Cc1ccccc1)Cc1ccccc1- InChIKey
WCZWEAPLXPGQBJ-UHFFFAOYSA-M- Molecular formula
- C18H24ClNO4S
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1114571
Names & identifiers
- Preferred name
- Ammonium, (2-chloroethyl)dibenzylmethyl-, methylsulfate
- IUPAC
- dibenzyl-(2-chloroethyl)-methylazanium;methyl sulfate
Names & synonyms
64048-30-2(2-Chloroethyl)dibenzylmethylammonium methylsulfateAMMONIUM, (2-CHLOROETHYL)DIBENZYLMETHYL-, METHYLSULFATEDTXSID80214143RefChem:318784DTXCID80136634N,N-Dibenzyl-2-chloro-N-methylethan-1-aminium methyl sulfate
Database identifiers
- CAS
64048-30-2- PubChem CID
- 46758
- DTXSID
DTXSID80214143
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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