2,3-di(hexadecanoyloxy)propyl-dimethyl-(12-oxidanyl-12-oxidanylidene-dodecyl)azanium

Systemtic Name: 2,3-di(hexadecanoyloxy)propyl-dimethyl-(12-oxidanyl-12-oxidanylidene-dodecyl)azanium Openeye Name: 2,3-di(hexadecanoyloxy)propyl-(12-hydroxy-12-oxo-dodecyl)-dimethyl-ammonium CAS Name: 2,3-bis(1-oxohexadecoxy)propyl-(12-hydroxy-12-oxododecyl)-dimethylammonium IUPAC Name: 2,3-di(hexadecanoyloxy)propyl-(12-hydroxy-12-oxododecyl)-dimethylazanium Traditional Name: 2,3-di(hexadecanoyloxy)propyl-(12-hydroxy-12-keto-dodecyl)-dimethyl-ammonium Formula: C49H96NO6+ MolecularWeight: 795.28964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H95NO6/c1-5-7-9-11-13-15-17-19-21-25-29-33-37-41-48(53)55-45-46(44-50(3,4)43-39-35-31-27-23-24-28-32-36-40-47(51)52)56-49(54)42-38-34-30-26-22-20-18-16-14-12-10-8-6-2/h46H,5-45H2,1-4H3/p+1