2-[(2-butanoyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-butanoyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-heptadecoxy-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[(2-butyryloxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](C)C)O)OC(=O)CCC

InChI

InChI=1S/C28H58NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(35-28(30)21-6-2)26-34-36(31,32)24-22-29(3)4/h27H,5-26H2,1-4H3,(H,31,32)/p+1