2-[[(E)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium chloride

Systemtic Name: 2-[[(E)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium chloride Openeye Name: 2-[[(E)-2-amino-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[[(E)-2-amino-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium chloride IUPAC Name: 2-[[(E)-2-amino-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium chloride Traditional Name: 2-[[(E)-2-amino-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium chloride Formula: C23H50ClN2O5P MolecularWeight: 501.080261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)N)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)OCC[N+](C)(C)C)N)O.[Cl-]

InChI

InChI=1S/C23H49N2O5P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4;/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3;1H/b18-17+;