2-[(2-butanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-butanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-octadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-octadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-butyryloxy-3-stearoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H61NO8P+ MolecularWeight: 594.781001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

InChI

InChI=1S/C30H60NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-29(32)36-26-28(39-30(33)22-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h28H,6-27H2,1-5H3/p+1