dimethyl-(2-nonanoyloxyethyl)-octadecyl-azanium bromide

Systemtic Name: dimethyl-(2-nonanoyloxyethyl)-octadecyl-azanium bromide Openeye Name: dimethyl-(2-nonanoyloxyethyl)-octadecyl-ammonium bromide CAS Name: dimethyl-octadecyl-[2-(1-oxononoxy)ethyl]ammonium bromide IUPAC Name: dimethyl-(2-nonanoyloxyethyl)-octadecylazanium bromide Traditional Name: dimethyl-(2-pelargonyloxyethyl)-stearyl-ammonium bromide Formula: C31H64BrNO2 MolecularWeight: 562.74936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCCC.[Br-]

InChI

InChI=1S/C31H64NO2.BrH/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-32(3,4)29-30-34-31(33)27-25-23-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1