sodium [3-[[3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl]-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride

Systemtic Name: sodium [3-[[3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl]-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride Openeye Name: sodium [3-[[3-[dimethyl-[3-(tetradecanoylamino)propyl]ammonio]-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propyl]-dimethyl-[3-(tetradecanoylamino)propyl]ammonium chloride CAS Name: sodium [3-[[3-[dimethyl-[3-(1-oxotetradecylamino)propyl]ammonio]-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl]-dimethyl-[3-(1-oxotetradecylamino)propyl]ammonium chloride IUPAC Name: sodium [3-[[3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl]-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride Traditional Name: sodium [3-[[3-[dimethyl-[3-(tetradecanoylamino)propyl]ammonio]-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propyl]-dimethyl-[3-(tetradecanoylamino)propyl]ammonium chloride Formula: C44H93ClN4NaO8P+2 MolecularWeight: 895.647751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC)O)O.[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC)O)O.[Na+].[Cl-]

InChI

InChI=1S/C44H91N4O8P.ClH.Na/c1-7-9-11-13-15-17-19-21-23-25-27-31-43(51)45-33-29-35-47(3,4)37-41(49)39-55-57(53,54)56-40-42(50)38-48(5,6)36-30-34-46-44(52)32-28-26-24-22-20-18-16-14-12-10-8-2;;/h41-42,49-50H,7-40H2,1-6H3,(H-2,45,46,51,52,53,54);1H;/q;;+1/p+1