trimethyl-[2-[2-[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propoxy]ethoxy]ethyl]azanium

Systemtic Name: trimethyl-[2-[2-[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propoxy]ethoxy]ethyl]azanium Openeye Name: trimethyl-[2-[2-[3-octadecoxy-2-(3-oxobutanoyloxy)propoxy]ethoxy]ethyl]ammonium CAS Name: 2-[2-[2-(1,3-dioxobutoxy)-3-octadecoxypropoxy]ethoxy]ethyl-trimethylammonium IUPAC Name: trimethyl-[2-[2-[3-octadecoxy-2-(3-oxobutanoyloxy)propoxy]ethoxy]ethyl]azanium Traditional Name: 2-[2-(2-acetoacetyloxy-3-stearyloxy-propoxy)ethoxy]ethyl-trimethyl-ammonium Formula: C32H64NO6+ MolecularWeight: 558.85366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)C)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)C)OC(=O)CC(=O)C

InChI

InChI=1S/C32H64NO6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-37-28-31(39-32(35)27-30(2)34)29-38-26-25-36-24-22-33(3,4)5/h31H,6-29H2,1-5H3/q+1