1,2-di(hexadecanoyloxy)propyl-(1-hydroxyethyl)-dimethyl-azanium bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H78NO5.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(42)44-35(3)39(40(5,6)36(4)41)45-38(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-36,39,41H,7-34H2,1-6H3;1H/q+1;/p-1