dimethyl-[2-(3-octadecanoyloxy-2-oxidanyl-propoxy)-2-oxidanylidene-ethyl]-octadecyl-azanium

Systemtic Name: dimethyl-[2-(3-octadecanoyloxy-2-oxidanyl-propoxy)-2-oxidanylidene-ethyl]-octadecyl-azanium Openeye Name: [2-(2-hydroxy-3-octadecanoyloxy-propoxy)-2-oxo-ethyl]-dimethyl-octadecyl-ammonium CAS Name: [2-[2-hydroxy-3-(1-oxooctadecoxy)propoxy]-2-oxoethyl]-dimethyl-octadecylammonium IUPAC Name: [2-(2-hydroxy-3-octadecanoyloxypropoxy)-2-oxoethyl]-dimethyl-octadecylazanium Traditional Name: [2-(2-hydroxy-3-stearoyloxy-propoxy)-2-keto-ethyl]-dimethyl-stearyl-ammonium Formula: C43H86NO5+ MolecularWeight: 697.14664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C43H86NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(3,4)38-43(47)49-40-41(45)39-48-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41,45H,5-40H2,1-4H3/q+1