3-[[3-(4-dodecylphenoxy)-2-methoxy-propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium

Systemtic Name: 3-[[3-(4-dodecylphenoxy)-2-methoxy-propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium Openeye Name: 3-[[3-(4-dodecylphenoxy)-2-methoxy-propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium CAS Name: 3-[[3-(4-dodecylphenoxy)-2-methoxypropoxy]-hydroxyphosphoryl]propyl-trimethylammonium IUPAC Name: 3-[[3-(4-dodecylphenoxy)-2-methoxypropoxy]-hydroxyphosphoryl]propyl-trimethylazanium Traditional Name: 3-[hydroxy-[3-(4-laurylphenoxy)-2-methoxy-propoxy]phosphoryl]propyl-trimethyl-ammonium Formula: C28H53NO5P+ MolecularWeight: 514.697881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CCC[N+](C)(C)C)O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CCC[N+](C)(C)C)O)OC

InChI

InChI=1S/C28H52NO5P/c1-6-7-8-9-10-11-12-13-14-15-17-26-18-20-27(21-19-26)33-24-28(32-5)25-34-35(30,31)23-16-22-29(2,3)4/h18-21,28H,6-17,22-25H2,1-5H3/p+1