N,N-Dimethyl-N-[2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]ethyl]-1-Octanaminium bromide
[CAS# 113168-14-2]

Identification

• Name: N,N-Dimethyl-N-[2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]ethyl]-1-Octanaminium bromide
• Synonyms: 2-[2-(4-Isobutylphenyl)Propanoyloxy]Ethyl-Dimethyl-Octyl-Ammonium Bromide; 2-[2-(4-Isobutylphenyl)-1-Oxopropoxy]Ethyl-Dimethyl-Octylammonium Bromide; Dimethyl-[2-[2-[4-(2-Methylpropyl)Phenyl]Propanoyloxy]Ethyl]-Octyl-Azanium Bromide
• Molecular Formula: C₂₅H₄₄BrNO₂
• Molecular Weight: 470.53
• CAS Registry Number: 113168-14-2
• SMILES: C1=CC(=CC=C1C(C(OCC[N+](CCCCCCCC)(C)C)=O)C)CC(C)C.[Br-]
• InChI: 1S/C25H44NO2.BrH/c1-7-8-9-10-11-12-17-26(5,6)18-19-28-25(27)22(4)24-15-13-23(14-16-24)20-21(2)3;/h13-16,21-22H,7-12,17-20H2,1-6H3;1H/q+1;/p-1
• InChIKey: DTGYJWMLFMGLOM-UHFFFAOYSA-M