[2-methyl-3-[2-(3-octadecanoyloxy-2-oxidanyl-propoxy)-2-oxidanylidene-ethyl]nonadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[2-(3-octadecanoyloxy-2-oxidanyl-propoxy)-2-oxidanylidene-ethyl]nonadecan-2-yl]azanium chloride Openeye Name: [2-[2-(2-hydroxy-3-octadecanoyloxy-propoxy)-2-oxo-ethyl]-1,1-dimethyl-octadecyl]ammonium chloride CAS Name: [3-[2-[2-hydroxy-3-(1-oxooctadecoxy)propoxy]-2-oxoethyl]-2-methylnonadecan-2-yl]ammonium chloride IUPAC Name: [3-[2-(2-hydroxy-3-octadecanoyloxypropoxy)-2-oxoethyl]-2-methylnonadecan-2-yl]azanium chloride Traditional Name: [2-[2-(2-hydroxy-3-stearoyloxy-propoxy)-2-keto-ethyl]-1,1-dimethyl-octadecyl]ammonium chloride Formula: C43H86ClNO5 MolecularWeight: 732.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(CCCCCCCCCCCCCCCC)C(C)(C)[NH3+])O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(CCCCCCCCCCCCCCCC)C(C)(C)[NH3+])O.[Cl-]

InChI

InChI=1S/C43H85NO5.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)48-37-40(45)38-49-42(47)36-39(43(3,4)44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h39-40,45H,5-38,44H2,1-4H3;1H