dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium; methylazanium; methyl sulfate

Systemtic Name: dimethyl-[1-(octadecanoylamino)-2-oxidanyl-ethyl]-propyl-azanium; methylazanium; methyl sulfate Openeye Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propyl-ammonium; methylammonium; methyl sulfate CAS Name: [2-hydroxy-1-(1-oxooctadecylamino)ethyl]-dimethyl-propylammonium; methylammonium; methyl sulfate IUPAC Name: [2-hydroxy-1-(octadecanoylamino)ethyl]-dimethyl-propylazanium; methylazanium; methyl sulfate Traditional Name: (2-hydroxy-1-stearamido-ethyl)-dimethyl-propyl-ammonium; methylammonium; methyl sulfate Formula: C28H65N3O10S2 MolecularWeight: 667.9598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.C[NH3+].COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CO)[N+](C)(C)CCC.C[NH3+].COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C25H52N2O2.CH5N.2CH4O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(23-28)27(3,4)22-6-2;1-2;2*1-5-6(2,3)4/h24,28H,5-23H2,1-4H3;2H2,1H3;2*1H3,(H,2,3,4)