trimethyl-[2-[[1-octadecoxy-3-(phenethylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[1-octadecoxy-3-(phenethylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[1-(octadecoxymethyl)-2-(phenethylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-octadecoxy-3-(phenethylamino)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[1-octadecoxy-3-(phenethylamino)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[1-[(phenethylamino)methyl]-2-stearyloxy-ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H66N2O5P+ MolecularWeight: 613.872001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNCCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNCCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C34H65N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-39-32-34(31-35-27-26-33-24-21-20-22-25-33)41-42(37,38)40-30-28-36(2,3)4/h20-22,24-25,34-35H,5-19,23,26-32H2,1-4H3/p+1