trimethyl-[14-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxytetradecyl]azanium

Systemtic Name: trimethyl-[14-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxytetradecyl]azanium Openeye Name: trimethyl-[14-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxytetradecyl]ammonium CAS Name: 14-[1,3-dioxobutyldioxy(3-octadecoxypropoxy)phosphoryl]oxytetradecyl-trimethylammonium IUPAC Name: trimethyl-[14-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxytetradecyl]azanium Traditional Name: 14-[acetoacetylperoxy(3-stearyloxypropoxy)phosphoryl]oxytetradecyl-trimethyl-ammonium Formula: C42H85NO8P+ MolecularWeight: 763.099961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCCCCCCCC[N+](C)(C)C)OOC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCCCCCCCCCCCCCC[N+](C)(C)C)OOC(=O)CC(=O)C

InChI

InChI=1S/C42H85NO8P/c1-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29-32-36-47-37-34-39-49-52(46,51-50-42(45)40-41(2)44)48-38-33-30-27-24-21-18-16-19-22-25-28-31-35-43(3,4)5/h6-40H2,1-5H3/q+1