bis(2-hydroxyethyl)-methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-methyl-[2-[(Z)-1-oxooctadec-9-enoxy]ethyl]ammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate Formula: C26H53NO8S MolecularWeight: 539.76592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H50NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5-6(2,3)4/h10-11,27-28H,3-9,12-24H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b11-10-;