dimethyl-[(octadecanoylamino)methyl]azanium ethanoate

Systemtic Name: dimethyl-[(octadecanoylamino)methyl]azanium ethanoate Openeye Name: dimethyl-[(octadecanoylamino)methyl]ammonium acetate CAS Name: dimethyl-[(1-oxooctadecylamino)methyl]ammonium acetate IUPAC Name: dimethyl-[(octadecanoylamino)methyl]azanium acetate Traditional Name: dimethyl(stearamidomethyl)ammonium acetate Formula: C23H48N2O3 MolecularWeight: 400.63882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-20-23(2)3;1-2(3)4/h4-20H2,1-3H3,(H,22,24);1H3,(H,3,4)