4-(2-ethoxy-3-octadecoxy-propoxy)butyl-trimethyl-azanium bromide

Systemtic Name: 4-(2-ethoxy-3-octadecoxy-propoxy)butyl-trimethyl-azanium bromide Openeye Name: 4-(2-ethoxy-3-octadecoxy-propoxy)butyl-trimethyl-ammonium bromide CAS Name: 4-(2-ethoxy-3-octadecoxypropoxy)butyl-trimethylammonium bromide IUPAC Name: 4-(2-ethoxy-3-octadecoxypropoxy)butyl-trimethylazanium bromide Traditional Name: 4-(2-ethoxy-3-stearyloxy-propoxy)butyl-trimethyl-ammonium bromide Formula: C30H64BrNO3 MolecularWeight: 566.73806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OCC.[Br-]

InChI

InChI=1S/C30H64NO3.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-28-30(34-7-2)29-33-27-24-22-25-31(3,4)5;/h30H,6-29H2,1-5H3;1H/q+1;/p-1