9-Octadecenamide, N-[2-[(2-hydroxyethyl)methylamino]ethyl]-, (Z)-, mono(methyl sulfate) (salt)

82799-37-9

CAS Name

Sulfuric acid, monomethyl ester, compd. with (Z)-N-[2-[(2-hydroxyethyl)methylamino]ethyl]-9-octadecenamide (1:1)

Molecular Formula

C₂₃H₄₆N₂O₂.CH₄O₄S

Molecular Mass

494.73

Other Names and Identifiers

InChI

InChI=1S/C23H46N2O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)24-19-20-25(2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3,(H,24,27);1H3,(H,2,3,4)/b11-10-;

InChIKey

InChIKey=WCMQPYKVNGHYEQ-GMFCBQQYSA-N

SMILES

N(C(CCCCCCC/C=C\CCCCCCCC)=O)CCN(CCO)C.S(OC)(=O)(=O)O

Canonical SMILES

O=C(NCCN(C)CCO)CCCCCCCC=CCCCCCCCC.O=S(=O)(O)OC

Other Names for this Substance