methyl-[2-[oxidanyl-[2-propanoyloxy-3-(2-tetradecoxyphenyl)propoxy]phosphanyl]oxyethyl]azanium

Systemtic Name: methyl-[2-[oxidanyl-[2-propanoyloxy-3-(2-tetradecoxyphenyl)propoxy]phosphanyl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-propanoyloxy-3-(2-tetradecoxyphenyl)propoxy]phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopropoxy)-3-(2-tetradecoxyphenyl)propoxy]phosphino]oxyethyl-methylammonium IUPAC Name: 2-[hydroxy-[2-propanoyloxy-3-(2-tetradecoxyphenyl)propoxy]phosphanyl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[3-(2-myristyloxyphenyl)-2-propionyloxy-propoxy]phosphino]oxyethyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCC[NH2+]C)OC(=O)CC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-18-22-33-28-20-17-16-19-26(28)24-27(36-29(31)5-2)25-35-37(32)34-23-21-30-3/h16-17,19-20,27,30,32H,4-15,18,21-25H2,1-3H3/p+1