Ammonium, diethyl(3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)methyl-, toluenesulfonate, hydrate (4:7)
Basic information
- CAS
66902-94-1- Standard SMILES
CC[N+](C)(CC)CCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
RCMBKFAGERBIKG-UHFFFAOYSA-M- Molecular formula
- C34H41NO5S
- Average molar mass
- 575.8 g/mol
- Monoisotopic mass
- 575.27054458
Names & identifiers
- Preferred name
- Ammonium, diethyl(3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)methyl-, toluenesulfonate, hydrate (4:7)
- IUPAC
- diethyl-[3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl]-methylazanium;4-methylbenzenesulfonate
Names & synonyms
66902-94-1Ammonium, diethyl(3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)methyl-, toluenesulfonate, hydrate (4:7)DTXSID10217046RefChem:319244DTXCID10139537N,N-Diethyl-3-{2-[hydroxydi(phenyl)methyl]phenoxy}-N-methylpropan-1-aminium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
66902-94-1- PubChem CID
- 48329
- DTXSID
DTXSID10217046
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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