trimethyl-[5-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxypentyl]azanium

Systemtic Name: trimethyl-[5-[3-octadecoxypropoxy(3-oxidanylidenebutanoylperoxy)phosphoryl]oxypentyl]azanium Openeye Name: trimethyl-[5-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxypentyl]ammonium CAS Name: 5-[1,3-dioxobutyldioxy(3-octadecoxypropoxy)phosphoryl]oxypentyl-trimethylammonium IUPAC Name: trimethyl-[5-[3-octadecoxypropoxy(3-oxobutanoylperoxy)phosphoryl]oxypentyl]azanium Traditional Name: 5-[acetoacetylperoxy(3-stearyloxypropoxy)phosphoryl]oxypentyl-trimethyl-ammonium Formula: C33H67NO8P+ MolecularWeight: 636.860741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H67NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-38-28-25-30-40-43(37,42-41-33(36)31-32(2)35)39-29-24-21-22-26-34(3,4)5/h6-31H2,1-5H3/q+1