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

Systemtic Name: dimethyl-[3-[oxidanyl-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[2-propionyloxy-3-(3-tridecylphenoxy)propoxy]phosphino]oxypropyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-19-27-20-17-21-28(24-27)34-25-29(37-30(32)6-2)26-36-38(33)35-23-18-22-31(3)4/h17,20-21,24,29,33H,5-16,18-19,22-23,25-26H2,1-4H3/p+1