sodium [2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: sodium [2-ethoxy-3-(1-oxooctadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: sodium (2-ethoxy-3-stearamido-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C28H59N2NaO6P+ MolecularWeight: 573.741391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.[Na+]

InChI

InChI=1S/C28H59N2O6P.Na/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)29-25-27(34-7-2)26-36-37(32,33)35-24-23-30(3,4)5;/h27H,6-26H2,1-5H3,(H-,29,31,32,33);/q;+1