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

Systemtic Name: methyl-[2-[oxidanyl-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecoxyphenyl)propoxy]phosphino]oxyethyl-methylammonium IUPAC Name: 2-[hydroxy-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[2-propionyloxy-3-(3-tridecoxyphenyl)propoxy]phosphino]oxyethyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCC[NH2+]C)OC(=O)CC

InChI

InChI=1S/C28H50NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-20-32-26-18-16-17-25(22-26)23-27(35-28(30)5-2)24-34-36(31)33-21-19-29-3/h16-18,22,27,29,31H,4-15,19-21,23-24H2,1-3H3/p+1