2-[[3-(dodecanoylamino)-2-heptoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(dodecanoylamino)-2-heptoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(dodecanoylamino)-2-heptoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-heptoxy-3-(1-oxododecylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(dodecanoylamino)-2-heptoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-heptoxy-3-(lauroylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H58N2O6P+ MolecularWeight: 537.732981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCC

InChI

InChI=1S/C27H57N2O6P/c1-6-8-10-12-13-14-15-16-18-20-27(30)28-24-26(33-22-19-17-11-9-7-2)25-35-36(31,32)34-23-21-29(3,4)5/h26H,6-25H2,1-5H3,(H-,28,30,31,32)/p+1