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

Systemtic Name: trimethyl-[3-[oxidanyl-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxypropyl-trimethylammonium IUPAC Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecylphenoxy)propoxy]phosphanyl]oxypropyl-trimethylazanium Traditional Name: 3-[hydroxy-[2-propionyloxy-3-(3-tridecylphenoxy)propoxy]phosphino]oxypropyl-trimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-20-28-21-18-22-29(25-28)35-26-30(38-31(33)7-2)27-37-39(34)36-24-19-23-32(3,4)5/h18,21-22,25,30,34H,6-17,19-20,23-24,26-27H2,1-5H3/q+1