[1-octadecoxy-3-(phenethylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-octadecoxy-3-(phenethylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(octadecoxymethyl)-2-(phenethylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-(phenethylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-(phenethylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(phenethylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C34H65N2O5P MolecularWeight: 612.864061

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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