2-[dibutylcarbamoylperoxy(3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[dibutylcarbamoylperoxy(3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[dibutylcarbamoylperoxy(3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(dibutylamino)-oxomethyl]dioxy-(3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[dibutylcarbamoylperoxy(3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[dibutylcarbamoylperoxy(3-stearyloxypropoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H74N2O7P+ MolecularWeight: 665.945021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)N(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(OCC[N+](C)(C)C)OOC(=O)N(CCCC)CCCC

InChI

InChI=1S/C35H74N2O7P/c1-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-32-27-33-41-45(39,42-34-30-37(4,5)6)44-43-35(38)36(28-11-8-2)29-12-9-3/h7-34H2,1-6H3/q+1