2,3-di(tetradecoxy)propyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide

Systemtic Name: 2,3-di(tetradecoxy)propyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide Openeye Name: 2,3-di(tetradecoxy)propyl-(4-hydroxy-4-oxo-butyl)-dimethyl-ammonium bromide CAS Name: 2,3-di(tetradecoxy)propyl-(4-hydroxy-4-oxobutyl)-dimethylammonium bromide IUPAC Name: 2,3-di(tetradecoxy)propyl-(4-hydroxy-4-oxobutyl)-dimethylazanium bromide Traditional Name: 2,3-dimyristyloxypropyl-(4-hydroxy-4-keto-butyl)-dimethyl-ammonium bromide Formula: C37H76BrNO4 MolecularWeight: 678.90764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(C[N+](C)(C)CCCC(=O)O)OCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOCC(C[N+](C)(C)CCCC(=O)O)OCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C37H75NO4.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-32-41-35-36(34-38(3,4)31-29-30-37(39)40)42-33-28-26-24-22-20-18-16-14-12-10-8-6-2;/h36H,5-35H2,1-4H3;1H