Basic information
- CAS
7387-95-3- Standard SMILES
C[N+](C)(C)CCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
ZDNKMBGDYYNHDF-UHFFFAOYSA-M- Molecular formula
- C32H37NO5S
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.23924445
Names & identifiers
- Preferred name
- Ammonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
- IUPAC
- 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium;4-methylbenzenesulfonate
Names & synonyms
Ammonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate2-(3-(Dimethylamino)propoxy)-alpha-phenylbenzhydrol methyl toluenesulfonate7387-95-3DTXSID50224456Benzhydrol, 2-(3-(dimethylamino)propoxy)-alpha-phenyl-, methyl toluenesulfonate(3-(2-(alpha-Hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethylammonium toluenesulfonateRefChem:318836DTXCID501469473-{2-[Hydroxydi(phenyl)methyl]phenoxy}-N,N,N-trimethylpropan-1-aminium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
7387-95-3- PubChem CID
- 202053
- DTXSID
DTXSID50224456
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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