2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C29H52NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-18-27-19-17-20-28(23-27)34-24-29(36-26(2)31)25-35-37(32,33)22-21-30(3,4)5/h17,19-20,23,29H,6-16,18,21-22,24-25H2,1-5H3/p+1