RefChem:863477 structure

RefChem:863477

2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate;methyl sulfate

Also Known As: EINECS 265-358-4|KST-1B7237|1-[2-(heptadecanoyloxy)ethyl]-1-methyl-4-[2-(octadecanoyloxy)ethyl]piperazin-1-ium methylsulfate|Piperazinium, 1-methyl-1,4-bis(2-(stearoyloxy)ethyl)-, methyl sulfate|1-Methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]piperazinium methyl sulfate|Piperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate|Piperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)|1-Methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)piperazinium methyl sulphate|3,7-dichloro-5-[3-(4-methylpiperazin-1-yl)propyl]-5h-dibenzo[b,f]azepine|Piperazinium, 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)|2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate; methyl sulfate

CAS: 65060-32-4
Molecular Formula C45H90N2O8S
Molecular Weight 818.6418 g/mol
LogP 11.06
Topological Polar Surface Area 122.27 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
Rotatable Bonds 38
Exact Mass 818.6418
Heavy Atoms 56
Complexity 988.6

Chemical Identifiers

CAS Number 65060-32-4
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Product Overview

RefChem:863477 (CAS 65060-32-4), with molecular formula C45H90N2O8S and molecular weight 818.6418 g/mol. IUPAC: 2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate;methyl sulfate.

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