Methylbenzethonium chloride hydrate
[CAS# 1320-44-1]

Identification

• Name: Methylbenzethonium chloride hydrate
• Synonyms: Benzyl-Dimethyl-[2-[2-[3-Methyl-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]Ethoxy]Ethyl]Ammonium Chloride; Dimethyl-[2-[2-[3-Methyl-4-(2,4,4-Trimethylpentan-2-Yl)Phenoxy]Ethoxy]Ethyl]-(Phenylmethyl)Azanium Chloride; Ammonium, Benzyldimethyl(2-(2-((4-(1,1,3,3-Tetramethylbutyl)-M-Tolyl)Oxy)Ethoxy)
• Molecular Formula: C₂₈H₄₄ClNO₂
• Molecular Weight: 462.11
• CAS Registry Number: 1320-44-1
• SMILES: C1=C(C=CC(=C1C)C(CC(C)(C)C)(C)C)OCCOCC[N+](CC2=CC=CC=C2)(C)C.[Cl-]
• InChI: 1S/C28H44NO2.ClH/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1
• InChIKey: WYWSKWZUWZLELX-UHFFFAOYSA-M