2-hydroxyethyl-dimethyl-[2-(octadecanoylamino)ethyl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-dimethyl-[2-(octadecanoylamino)ethyl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-dimethyl-[2-(octadecanoylamino)ethyl]ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-dimethyl-[2-(1-oxooctadecylamino)ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-dimethyl-[2-(octadecanoylamino)ethyl]azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-dimethyl-(2-stearamidoethyl)ammonium; methyl sulfate Formula: C25H54N2O6S MolecularWeight: 510.77106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50N2O2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(2,3)22-23-27;1-5-6(2,3)4/h27H,4-23H2,1-3H3;1H3,(H,2,3,4)