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

Systemtic Name: 2-[[2-butanoyloxy-3-(2-hexadecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(2-hexadecylphenoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(2-cetylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C34H63NO6P+ MolecularWeight: 612.840881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)23-7-2)30-40-42(37)39-28-27-35(3,4)5/h21-22,25-26,32,37H,6-20,23-24,27-30H2,1-5H3/q+1