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

Systemtic Name: [1-octadecoxy-3-(phenethylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(octadecoxymethyl)-2-(phenethylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-[[oxo-(phenethylamino)methyl]amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-(phenethylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(phenethylcarbamoylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H66N3O6P MolecularWeight: 655.888801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C35H66N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-42-32-34(44-45(40,41)43-30-28-38(2,3)4)31-37-35(39)36-27-26-33-24-21-20-22-25-33/h20-22,24-25,34H,5-19,23,26-32H2,1-4H3,(H2-,36,37,39,40,41)