bis(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-azanium bromide

Systemtic Name: bis(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-azanium bromide Openeye Name: bis(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-ammonium bromide CAS Name: 2-hydroxyethyl-methyl-bis[2-(1-oxohexadecoxy)ethyl]ammonium bromide IUPAC Name: bis(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium bromide Traditional Name: bis(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-ammonium bromide Formula: C39H78BrNO5 MolecularWeight: 720.94432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C39H78NO5.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(42)44-36-33-40(3,32-35-41)34-37-45-39(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h41H,4-37H2,1-3H3;1H/q+1;/p-1