trimethyl-[2-[[4-octadecoxy-3-(1,2,4-triazol-1-yl)butyl]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[4-octadecoxy-3-(1,2,4-triazol-1-yl)butyl]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[4-octadecoxy-3-(1,2,4-triazol-1-yl)butyl]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[4-octadecoxy-3-(1,2,4-triazol-1-yl)butyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[4-octadecoxy-3-(1,2,4-triazol-1-yl)butyl]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[4-stearyloxy-3-(1,2,4-triazol-1-yl)butyl]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H60N4O4P+ MolecularWeight: 559.784861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H59N4O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-26-29(32-28-30-27-31-32)21-25-38(34,35)37-24-22-33(2,3)4/h27-29H,5-26H2,1-4H3/p+1