[3-octadecoxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecoxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-octadecoxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-octadecoxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecoxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-stearyloxy-2-(1,2,4-triazol-1-yl)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H57N4O5P MolecularWeight: 560.749741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)N1C=NC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)N1C=NC=N1

InChI

InChI=1S/C28H57N4O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-35-24-28(31-27-29-26-30-31)25-37-38(33,34)36-23-21-32(2,3)4/h26-28H,5-25H2,1-4H3