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

Systemtic Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-[2-[2-hydroxyethyl(1-oxohexadecyl)amino]ethyl]-methyl-[2-(1-oxohexadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C42H86N2O9S MolecularWeight: 795.20524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H83N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)42(33-37-44)32-34-43(3,35-38-45)36-39-48-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h44-45H,4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1