2-[[2-acetyloxy-3-(4-tetradecylphenoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(4-tetradecylphenoxy)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(4-tetradecylphenoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(4-tetradecylphenoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(4-tetradecylphenoxy)propoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(4-myristylphenoxy)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C30H54NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-21-29(22-20-28)35-25-30(37-27(2)32)26-36-38(33,34)24-23-31(3,4)5/h19-22,30H,6-18,23-26H2,1-5H3/p+1