[4-[bis(oxidanyl)methyl]-3-oxidanyl-octadecan-3-yl]azanium; 2-oxidanylethanoate

Systemtic Name: [4-[bis(oxidanyl)methyl]-3-oxidanyl-octadecan-3-yl]azanium; 2-oxidanylethanoate Openeye Name: [2-(dihydroxymethyl)-1-ethyl-1-hydroxy-hexadecyl]ammonium; 2-hydroxyacetate CAS Name: [4-(dihydroxymethyl)-3-hydroxyoctadecan-3-yl]ammonium; 2-hydroxyacetate IUPAC Name: [4-(dihydroxymethyl)-3-hydroxyoctadecan-3-yl]azanium; 2-hydroxyacetate Traditional Name: [2-(dihydroxymethyl)-1-ethyl-1-hydroxy-hexadecyl]ammonium; glycolate Formula: C21H45NO6 MolecularWeight: 407.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(O)O)C(CC)([NH3+])O.C(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(O)O)C(CC)([NH3+])O.C(C(=O)[O-])O

InChI

InChI=1S/C19H41NO3.C2H4O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18(21)22)19(20,23)4-2;3-1-2(4)5/h17-18,21-23H,3-16,20H2,1-2H3;3H,1H2,(H,4,5)