bis(2-hydroxyethyl)-methyl-(3-octadecoxy-2-oxidanyl-propyl)azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-(3-octadecoxy-2-oxidanyl-propyl)azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octadecoxy-propyl)-methyl-ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octadecoxypropyl)-methylammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-(2-hydroxy-3-octadecoxypropyl)-methylazanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-(2-hydroxy-3-stearyloxy-propyl)-methyl-ammonium; methyl sulfate Formula: C27H59NO8S MolecularWeight: 557.82426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H56NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-25-26(30)24-27(2,19-21-28)20-22-29;1-5-6(2,3)4/h26,28-30H,3-25H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1