2-[[3-(3-dodecoxy-2-methyl-phenoxy)-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(3-dodecoxy-2-methyl-phenoxy)-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(3-dodecoxy-2-methyl-phenoxy)-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(3-dodecoxy-2-methylphenoxy)-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(3-dodecoxy-2-methylphenoxy)-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-hydroxy-3-(3-lauryloxy-2-methyl-phenoxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H51NO7P+ MolecularWeight: 532.670101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OCC[N+](C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OCC[N+](C)(C)C)O)C

InChI

InChI=1S/C27H50NO7P/c1-6-7-8-9-10-11-12-13-14-15-20-32-26-17-16-18-27(24(26)2)33-22-25(29)23-35-36(30,31)34-21-19-28(3,4)5/h16-18,25,29H,6-15,19-23H2,1-5H3/p+1