2-[(2-butanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[(2-butanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-octadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-octadecoxy-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-octadecoxypropoxy)-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[(2-butyryloxy-3-stearyloxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C30H63NO6P+ MolecularWeight: 564.798081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)CCC

InChI

InChI=1S/C30H62NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-35-27-29(37-30(32)23-7-2)28-36-38(33,34)26-24-31(3,4)5/h29H,6-28H2,1-5H3/p+1