2-[[2-acetyloxy-3-(2-hexadecylphenoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(2-hexadecylphenoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(2-hexadecylphenoxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(2-cetylphenoxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C32H59NO7P+ MolecularWeight: 600.787121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C32H58NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-23-20-21-24-32(30)37-27-31(40-29(2)34)28-39-41(35,36)38-26-25-33(3,4)5/h20-21,23-24,31H,6-19,22,25-28H2,1-5H3/p+1