[3-(2-hydroxyethyl)-1-oxidanyl-hexadecan-3-yl]azanium ethanoate

Systemtic Name: [3-(2-hydroxyethyl)-1-oxidanyl-hexadecan-3-yl]azanium ethanoate Openeye Name: 1,1-bis(2-hydroxyethyl)tetradecylammonium acetate CAS Name: [1-hydroxy-3-(2-hydroxyethyl)hexadecan-3-yl]ammonium acetate IUPAC Name: [1-hydroxy-3-(2-hydroxyethyl)hexadecan-3-yl]azanium acetate Traditional Name: 1,1-bis(2-hydroxyethyl)tetradecylammonium acetate Formula: C20H43NO4 MolecularWeight: 361.55972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCO)(CCO)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCO)(CCO)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C18H39NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(19,14-16-20)15-17-21;1-2(3)4/h20-21H,2-17,19H2,1H3;1H3,(H,3,4)