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

Systemtic Name: [1-(icosylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(icosylamino)methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(eicosylamino)-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(icosylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(arachylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H97N2O5P MolecularWeight: 789.246541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C46H97N2O5P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-47-44-46(53-54(49,50)52-43-41-48(3,4)5)45-51-42-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h46-47H,6-45H2,1-5H3