2-(dimethylazaniumyl)ethyl [(2R)-2-heptadecanoyloxy-3-(14-methylpentadecoxy)propyl] phosphate

Systemtic Name: 2-(dimethylazaniumyl)ethyl [(2R)-2-heptadecanoyloxy-3-(14-methylpentadecoxy)propyl] phosphate Openeye Name: 2-(dimethylammonio)ethyl [(2R)-2-heptadecanoyloxy-3-(14-methylpentadecoxy)propyl] phosphate CAS Name: 2-(dimethylammonio)ethyl [(2R)-3-(14-methylpentadecoxy)-2-(1-oxoheptadecoxy)propyl] phosphate IUPAC Name: 2-(dimethylazaniumyl)ethyl [(2R)-2-heptadecanoyloxy-3-(14-methylpentadecoxy)propyl] phosphate Traditional Name: 2-(dimethylammonio)ethyl [(2R)-2-heptadecanoyloxy-3-(14-methylpentadecoxy)propyl] phosphate Formula: C40H82NO7P MolecularWeight: 720.055341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC[NH+](C)C

InChI

InChI=1S/C40H82NO7P/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-40(42)48-39(37-47-49(43,44)46-35-33-41(4)5)36-45-34-30-27-24-21-18-15-16-19-22-25-28-31-38(2)3/h38-39H,6-37H2,1-5H3,(H,43,44)/t39-/m1/s1