2-[[2-heptadecoxy-3-(octanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-heptadecoxy-3-(octanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-heptadecoxy-3-(octanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-heptadecoxy-3-(1-oxooctylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-heptadecoxy-3-(octanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(caprylylamino)-2-heptadecoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H70N2O6P+ MolecularWeight: 621.892461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C33H69N2O6P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-28-39-32(30-34-33(36)26-24-22-11-9-7-2)31-41-42(37,38)40-29-27-35(3,4)5/h32H,6-31H2,1-5H3,(H-,34,36,37,38)/p+1