RefChem:921199

2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium;methyl sulfate

Also Known As: BW 172C58|BW-172C58|BW172C58|Choline-4-benzoyl-2,6-xylyl ether bromide|2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium;methyl sulfate|2-(4-benzoyl-2,6-dimethylphenoxy)-n,n,n-trimethylethanaminium methyl sulfate|2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium,methyl sulfate|2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium; methyl sulfate|methyl sulfate, 2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium|2-(4-Benzoyl-2,6-dimethylphenoxy)-N,N,N-trimethylethan-1-aminium methyl sulfate|Ethanaminium, 2-(4-benzoyl-2,6-dimethylphenoxy)-N,N,N-trimethyl-, methyl sulfate (1:1)

Molecular Formula	C21H29NO6S
Molecular Weight	423.17157 g/mol
LogP	2.71244
Topological Polar Surface Area	101.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	423.17157
Monoisotopic Mass	423.17157
Heavy Atoms	29
Complexity	460.0

Chemical Identifiers

CAS Number	4244-45-5
SMILES	CC1=CC(=CC(=C1OCC[N+](C)(C)C)C)C(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]
InChIKey	DAXYSIWBVPNUKP-UHFFFAOYSA-M