Basic information
- CAS
7347-92-4- Standard SMILES
CC(COc1ccccc1Cc1ccccc1)[N+](C)(C)C.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
XKPNOJBZASNNKA-UHFFFAOYSA-M- Molecular formula
- C26H33NO4S
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.21302971
Names & identifiers
- Preferred name
- 1-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonate
- IUPAC
- 1-(2-benzylphenoxy)propan-2-yl-trimethylazanium;4-methylbenzenesulfonate
Names & synonyms
7347-92-4DTXSID109942291-(2-Benzylphenoxy)-N,N,N-trimethylpropan-2-aminium 4-methylbenzene-1-sulfonateRefChem:1053905DTXCID401421267(1-((2-Benzylphenoxy)methyl)ethyl)trimethylammonium toluenesulfonateAMMONIUM, (1-((2-BENZYLPHENOXY)METHYL)ETHYL)TRIMETHYL-, TOLUENESULFONATE
Database identifiers
- CAS
7347-92-4- PubChem CID
- 23786
- DTXSID
DTXSID10994229
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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