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

Systemtic Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-trimethyl-azanium Openeye Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[[3-(2-hexadecylphenoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxypropyl-trimethylammonium IUPAC Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxypropyl-trimethylazanium Traditional Name: 3-[[3-(2-cetylphenoxy)-2-propionyloxy-propoxy]-hydroxy-phosphino]oxypropyl-trimethyl-ammonium Formula: C34H63NO6P+ MolecularWeight: 612.840881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-25-21-22-26-33(31)38-29-32(41-34(36)7-2)30-40-42(37)39-28-23-27-35(3,4)5/h21-22,25-26,32,37H,6-20,23-24,27-30H2,1-5H3/q+1