1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate (1:1)

CAS Registry Number®

13470-50-3

CAS Name

1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate (1:1)

Molecular Formula

C41H82N3O.CH3O4S

Cite this Page

1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13470-50-3 (retrieved 2024-10-10) (CAS RN: 13470-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H81N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-39H2,1-3H3;1H3,(H,2,3,4)

InChIKey

InChIKey=IOIXBUJAKFHCBU-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCCCCCCCC)C=1[N+](CCNC(CCCCCCCCCCCCCCCCC)=O)(C)CCN1.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)C)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC

Other Names for this Substance

  • 1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate (1:1)
  • 2-Imidazolinium, 2-heptadecyl-1-methyl-1-(2-stearamidoethyl)-, methyl sulfate
  • 1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate
  • 2-Heptadecyl-1-methyl-1-(octadecanamidoethyl)imidazolinium methosulfate
  • Culsoft S 75

View All

Deleted or Replaced CAS Registry Numbers

30794-76-4, 37710-62-6, 50642-53-0, 52246-57-8

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox