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

Systemtic Name: trimethyl-[2-[oxidanyl-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-propionyloxy-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-trimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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