docosyl-[2-(3-ethoxy-3-oxidanylidene-propoxy)ethyl]-dimethyl-azanium bromide

Systemtic Name: docosyl-[2-(3-ethoxy-3-oxidanylidene-propoxy)ethyl]-dimethyl-azanium bromide Openeye Name: docosyl-[2-(3-ethoxy-3-oxo-propoxy)ethyl]-dimethyl-ammonium bromide CAS Name: docosyl-[2-(3-ethoxy-3-oxopropoxy)ethyl]-dimethylammonium bromide IUPAC Name: docosyl-[2-(3-ethoxy-3-oxopropoxy)ethyl]-dimethylazanium bromide Traditional Name: behenyl-[2-(3-ethoxy-3-keto-propoxy)ethyl]-dimethyl-ammonium bromide Formula: C31H64BrNO3 MolecularWeight: 578.74876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC(=O)OCC.[Br-]

InChI

InChI=1S/C31H64NO3.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-32(3,4)28-30-34-29-26-31(33)35-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1