[3-(icosanoylamino)-3-octadecanoyloxy-2-oxidanyl-propyl]-dimethyl-propyl-azanium chloride

Systemtic Name: [3-(icosanoylamino)-3-octadecanoyloxy-2-oxidanyl-propyl]-dimethyl-propyl-azanium chloride Openeye Name: [2-hydroxy-3-(icosanoylamino)-3-octadecanoyloxy-propyl]-dimethyl-propyl-ammonium chloride CAS Name: [2-hydroxy-3-(1-oxoeicosylamino)-3-(1-oxooctadecoxy)propyl]-dimethyl-propylammonium chloride IUPAC Name: [2-hydroxy-3-(icosanoylamino)-3-octadecanoyloxypropyl]-dimethyl-propylazanium chloride Traditional Name: [3-(eicosanoylamino)-2-hydroxy-3-stearoyloxy-propyl]-dimethyl-propyl-ammonium chloride Formula: C46H93ClN2O4 MolecularWeight: 773.69462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC(C(C[N+](C)(C)CCC)O)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NC(C(C[N+](C)(C)CCC)O)OC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C46H92N2O4.ClH/c1-6-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-44(50)47-46(43(49)42-48(4,5)41-8-3)52-45(51)40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-7-2;/h43,46,49H,6-42H2,1-5H3;1H