1-Propanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N-methyl-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-3-sulfo-, methyl sulfate (salt), monosodium salt

CAS Name

1-Propanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N-methyl-N-[2-[(1-oxo-9-octadecen-1-yl)amino]ethyl]-3-sulfo-, methyl sulfate, sodium salt (1:1:1)

Molecular Formula

C₂₆H₅₃N₂O₆S.CH₃O₄S.Na

Molecular Mass

655.86

Other Names and Identifiers

InChI

InChI=1S/C26H52N2O6S.CH4O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)27-19-20-28(2,21-22-29)23-25(30)24-35(32,33)34;1-5-6(2,3)4;/h10-11,25,29-30H,3-9,12-24H2,1-2H3,(H-,27,31,32,33,34);1H3,(H,2,3,4);

InChIKey

InChIKey=FYHCFGUQINZNDF-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(NCC[N+](C)(CCO)CC(O)CS(=O)(=O)O)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC

Other Names for this Substance