dimethyl-[2-[oxidanyl-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl]azanium

Systemtic Name: dimethyl-[2-[oxidanyl-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[2-propionyloxy-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-dimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-27(23-26)33-24-28(36-29(31)6-2)25-35-37(32)34-22-21-30(3)4/h17,19-20,23,28,32H,5-16,18,21-22,24-25H2,1-4H3/p+1