CAS Registry Number®
94944-77-1
CAS Name
1H-Imidazolium, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-1-methyl-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, methyl sulfate (1:1)
Molecular Formula
C41H78N3O.CH3O4S
Compound Properties
-
Melting Point (1)
46 °C
-
Density (1)
0.97 g/cm³
Source(s)
- (1) Serreau, Laurence; arXiv.org, e-Print Archive, Condensed Matter, (2009), 1-30, CAplus
Other Names and Identifiers
InChI
InChI=1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-37-44-39-38-43(3)41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18-,21-19-;
InChIKey
InChIKey=HFVLFKXWKDRMSW-YIQDKWKASA-N
SMILES
C(CCCCCC/C=C\CCCCCCCC)C1=[N+](CCNC(CCCCCCC/C=C\CCCCCCCC)=O)CCN1C.S(OC)(=O)(=O)[O-]
Canonical SMILES
O=C(NCC[N+]1=C(N(C)CC1)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
Other Names for this Substance
- 1H-Imidazolium, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-1-methyl-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, methyl sulfate (1:1)
- 1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-methyl-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, (Z,Z)-, methyl sulfate
- 1H-Imidazolium, 2-(8Z)-8-heptadecenyl-4,5-dihydro-1-methyl-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, methyl sulfate
Deleted or Replaced CAS Registry Numbers
2304468-32-2
