2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methyl-azanium; methyl sulfate

Systemtic Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-[2-[2-hydroxyethyl-[2-(1-oxohexadecoxy)ethyl]amino]ethyl]-[2-[2-hydroxyethyl(1-oxohexadecyl)amino]ethyl]-methylammonium; methyl sulfate IUPAC Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C46H95N3O10S MolecularWeight: 882.3256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C45H92N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(52)47(35-41-50)33-38-48(3,39-42-51)37-32-46(34-40-49)36-43-54-45(53)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h49-51H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1