Registration Dossier

Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
1-(2-icosanamidoethyl)-1-methyl-2-nonadecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate

Molecular and structural information

Molecular formula:
C46H93N3O5S1
Molecular weight:
ca. 800.33
SMILES notation:
COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C44H89N3O.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(45)47(3,4)42-41-46-44(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h45H,5-42H2,1-4H3;1H3,(H,2,3,4)
Structural formula:
Chemical structure