Cas no 111878-48-9 (Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1))

Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1) structure
111878-48-9 structure
Product Name:Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1)
CAS No:111878-48-9
MF:C34H59BrN2O4
MW:639.747269868851
CID:166830
PubChem ID:194937
Update Time:2025-04-19

Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1)
    • 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate
    • N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium
    • Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,br...
    • 1-{6-[(2-{[(octadecylcarbamoyl)oxy]methyl}prop-2-en-1-yl)oxy]-6-oxohexyl}pyridinium
    • 1-{6-[(2-{[(octadecylcarbamoyl)oxy]methyl}prop-2-en-1-yl)oxy]-6-oxohexyl}pyridinium bromide
    • Mocpcp
    • CHEMBL17412
    • 111878-48-9
    • ZRSZNRLUFILOEO-UHFFFAOYSA-N
    • 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate;bromide
    • SCHEMBL9827837
    • 1-Octadecylaminocarbonyloxy-3-[6-(1-pyridinio)hexanoyloxy]-2-methylenepropane bromide
    • GS-1065180
    • Inchi： 1S/C34H58N2O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-34(38)40-31-32(2)30-39-33(37)25-20-18-22-27-36-28-23-19-24-29-36;/h19,23-24,28-29H,2-18,20-22,25-27,30-31H2,1H3;1H
    • InChI Key： ZRSZNRLUFILOEO-UHFFFAOYSA-N
    • SMILES： [Br-].O(CC(=C)COC(CCCCC[N+]1C=CC=CC=1)=O)C(NCCCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 559.44777
  • Monoisotopic Mass: 638.36582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 29
  • Complexity: 619
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • PSA: 68.51

Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1) Related Literature

111878-48-9 (Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1)) Related Products

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