2-[[2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(2-butyl-1-oxohexoxy)-3-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(2-butylhexanoyloxy)-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H69NO8P+ MolecularWeight: 650.887321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCC)CCCC

InChI

InChI=1S/C34H68NO8P/c1-7-10-13-14-15-16-17-18-19-20-21-22-23-26-33(36)40-29-32(30-42-44(38,39)41-28-27-35(4,5)6)43-34(37)31(24-11-8-2)25-12-9-3/h31-32H,7-30H2,1-6H3/p+1