2,3-di(hexadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: 2,3-di(hexadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: 2,3-di(hexadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: 2,3-bis(1-oxohexadecoxy)propyl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: 2,3-di(hexadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: 2,3-di(hexadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C39H78BrNO5 MolecularWeight: 720.94432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C39H78NO5.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42)44-36-37(35-40(3,4)33-34-41)45-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h37,41H,5-36H2,1-4H3;1H/q+1;/p-1