2-[[4-(hexadecanoylamino)-2-icosanoyl-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[4-(hexadecanoylamino)-2-icosanoyl-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[4-(hexadecanoylamino)-2-icosanoyl-phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxoeicosyl)-4-(1-oxohexadecylamino)phenoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[4-(hexadecanoylamino)-2-icosanoylphenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-eicosanoyl-4-palmitamido-phenoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C47H88N2O6P+ MolecularWeight: 808.185181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C47H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-45(50)44-42-43(38-39-46(44)55-56(52,53)54-41-40-49(3,4)5)48-47(51)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h38-39,42H,6-37,40-41H2,1-5H3,(H-,48,51,52,53)/p+1