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

Systemtic Name: triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium ethanoate Openeye Name: triethyl-(2-hydroxy-3-octadecanoyloxy-propyl)ammonium acetate CAS Name: triethyl-[2-hydroxy-3-(1-oxooctadecoxy)propyl]ammonium acetate IUPAC Name: triethyl-(2-hydroxy-3-octadecanoyloxypropyl)azanium acetate Traditional Name: triethyl-(2-hydroxy-3-stearoyloxy-propyl)ammonium acetate Formula: C29H59NO5 MolecularWeight: 501.78246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO3.C2H4O2/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;1-2(3)4/h26,29H,5-25H2,1-4H3;1H3,(H,3,4)/q+1;/p-1