4-[[2-methanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[[2-methanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCC[N+](C)(C)C)OC=O

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCC[N+](C)(C)C)OC=O

InChI

InChI=1S/C30H55NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-19-28-20-18-21-29(24-28)34-25-30(35-27-32)26-37-38(33)36-23-17-16-22-31(2,3)4/h18,20-21,24,27,30,33H,5-17,19,22-23,25-26H2,1-4H3/q+1