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

Systemtic Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-21-19-22-30(25-29)35-26-31(38-28(2)33)27-37-39(34)36-24-18-17-23-32(3,4)5/h19,21-22,25,31,34H,6-18,20,23-24,26-27H2,1-5H3/q+1