trimethyl-[4-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxybutyl]azanium

Systemtic Name: trimethyl-[4-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxybutyl]azanium Openeye Name: trimethyl-[4-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxybutyl]ammonium CAS Name: 4-[1,3-dioxobutyldioxy(3-octadecoxypropoxy)phosphoryl]oxybutyl-trimethylammonium IUPAC Name: trimethyl-[4-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxybutyl]azanium Traditional Name: 4-[acetoacetylperoxy(3-stearyloxypropoxy)phosphoryl]oxybutyl-trimethyl-ammonium Formula: C32H65NO8P+ MolecularWeight: 622.834161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H65NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-37-27-24-29-39-42(36,41-40-32(35)30-31(2)34)38-28-23-21-25-33(3,4)5/h6-30H2,1-5H3/q+1