[(2R)-2-hexadecanoyloxy-4-hexadecoxy-4-oxidanylidene-butyl]-trimethyl-azanium bromide

Systemtic Name: [(2R)-2-hexadecanoyloxy-4-hexadecoxy-4-oxidanylidene-butyl]-trimethyl-azanium bromide Openeye Name: [(2R)-2-hexadecanoyloxy-4-hexadecoxy-4-oxo-butyl]-trimethyl-ammonium bromide CAS Name: [(2R)-4-hexadecoxy-4-oxo-2-(1-oxohexadecoxy)butyl]-trimethylammonium bromide IUPAC Name: [(2R)-2-hexadecanoyloxy-4-hexadecoxy-4-oxobutyl]-trimethylazanium bromide Traditional Name: [(2R)-4-cetyloxy-2-hexadecanoyloxy-4-keto-butyl]-trimethyl-ammonium bromide Formula: C39H78BrNO4 MolecularWeight: 704.94492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C39H78NO4.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43-39(42)35-37(36-40(3,4)5)44-38(41)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h37H,6-36H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1