2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(2-hexadecylphenoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(2-cetylphenoxy)-2-propionyloxy-propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C33H61NO6P+ MolecularWeight: 598.814301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-24-21-22-25-32(30)37-28-31(40-33(35)7-2)29-39-41(36)38-27-26-34(3,4)5/h21-22,24-25,31,36H,6-20,23,26-29H2,1-5H3/q+1