2,3-di(hexadecanoyloxy)propyl-dimethyl-(16-oxidanyl-16-oxidanylidene-hexadecyl)azanium

Systemtic Name: 2,3-di(hexadecanoyloxy)propyl-dimethyl-(16-oxidanyl-16-oxidanylidene-hexadecyl)azanium Openeye Name: 2,3-di(hexadecanoyloxy)propyl-(16-hydroxy-16-oxo-hexadecyl)-dimethyl-ammonium CAS Name: 2,3-bis(1-oxohexadecoxy)propyl-(16-hydroxy-16-oxohexadecyl)-dimethylammonium IUPAC Name: 2,3-di(hexadecanoyloxy)propyl-(16-hydroxy-16-oxohexadecyl)-dimethylazanium Traditional Name: 2,3-di(hexadecanoyloxy)propyl-(16-hydroxy-16-keto-hexadecyl)-dimethyl-ammonium Formula: C53H104NO6+ MolecularWeight: 851.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCCCCCCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCCCCCCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H103NO6/c1-5-7-9-11-13-15-17-20-25-29-33-37-41-45-52(57)59-49-50(60-53(58)46-42-38-34-30-26-21-18-16-14-12-10-8-6-2)48-54(3,4)47-43-39-35-31-27-23-19-22-24-28-32-36-40-44-51(55)56/h50H,5-49H2,1-4H3/p+1