1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl](2-hydroxy-3-sulfopropyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide, monosodium salt

94133-91-2

CAS Name

1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl](2-hydroxy-3-sulfopropyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)

Molecular Formula

C₁₈H₂₄F₁₇N₂O₇S₂.HO.Na

Other Names and Identifiers

InChI

InChI=1S/C18H23F17N2O7S2.Na.H2O/c1-37(2,6-7-38)5-3-4-36(8-10(39)9-45(40,41)42)46(43,44)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33;;/h10,38-39H,3-9H2,1-2H3;;1H2

InChIKey

InChIKey=PJIADVVNSSFSSQ-UHFFFAOYSA-N

SMILES

N(S(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)(CC(CS(=O)(=O)O)O)CCC[N+](CCO)(C)C.[Na].[OH-]

Canonical SMILES

[Na].[OH-].O=S(=O)(O)CC(O)CN(CCC[N+](C)(C)CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance