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

Systemtic Name: [1-(methylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(methylaminomethyl)-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(methylamino)-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(methylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(methylaminomethyl)-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H59N2O5P MolecularWeight: 522.741521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H59N2O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-26-27(25-28-2)34-35(30,31)33-24-22-29(3,4)5/h27-28H,6-26H2,1-5H3