diethyl-[1-(octadecanoylamino)ethyl]azanium ethanoate

Systemtic Name: diethyl-[1-(octadecanoylamino)ethyl]azanium ethanoate Openeye Name: diethyl-[1-(octadecanoylamino)ethyl]ammonium acetate CAS Name: diethyl-[1-(1-oxooctadecylamino)ethyl]ammonium acetate IUPAC Name: diethyl-[1-(octadecanoylamino)ethyl]azanium acetate Traditional Name: diethyl(1-stearamidoethyl)ammonium acetate Formula: C26H54N2O3 MolecularWeight: 442.71856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)[NH+](CC)CC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)[NH+](CC)CC.CC(=O)[O-]

InChI

InChI=1S/C24H50N2O.C2H4O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(4)26(6-2)7-3;1-2(3)4/h23H,5-22H2,1-4H3,(H,25,27);1H3,(H,3,4)