Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)

CAS Registry Number®

13441-22-0
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CAS Name

Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)

Molecular Formula

C45H91N2O5.CH3O4S

Cite this Page

Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13441-22-0 (retrieved 2024-08-13) (CAS RN: 13441-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H91N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(50)46(37-41-48)36-38-47(3,39-42-49)40-43-52-45(51)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h48-49H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=LWMWHBRMDHVVHW-UHFFFAOYSA-M

SMILES

N(CC[N+](CCOC(CCCCCCCCCCCCCCCCC)=O)(CCO)C)(C(CCCCCCCCCCCCCCCCC)=O)CCO.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=C(OCC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC

Other Names for this Substance

  • Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)
  • Ammonium, bis(2-hydroxyethyl)[2-[N-(2-hydroxyethyl)octadecanamido]ethyl]methyl-, methyl sulfate, stearate (ester)
  • Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)