2-azanylethanoate; dimethyl-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: 2-azanylethanoate; dimethyl-[3-(octadecanoylamino)propyl]azanium Openeye Name: 2-aminoacetate; dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: 2-aminoacetate; dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: 2-aminoacetate; dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: 2-aminoacetate; dimethyl(3-stearamidopropyl)ammonium Formula: C25H53N3O3 MolecularWeight: 443.70662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+](C)C.C(C(=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+](C)C.C(C(=O)[O-])N

InChI

InChI=1S/C23H48N2O.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;3-1-2(4)5/h4-22H2,1-3H3,(H,24,26);1,3H2,(H,4,5)