triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium bromide

Systemtic Name: triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium bromide Openeye Name: triethyl-(2-hydroxy-3-octadecanoyloxy-propyl)ammonium bromide CAS Name: triethyl-[2-hydroxy-3-(1-oxooctadecoxy)propyl]ammonium bromide IUPAC Name: triethyl-(2-hydroxy-3-octadecanoyloxypropyl)azanium bromide Traditional Name: triethyl-(2-hydroxy-3-stearoyloxy-propyl)ammonium bromide Formula: C27H56BrNO3 MolecularWeight: 522.64244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.[Br-]

InChI

InChI=1S/C27H56NO3.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28(6-2,7-3)8-4;/h26,29H,5-25H2,1-4H3;1H/q+1;/p-1