4-[(2-acetyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-trimethyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-trimethylammonium IUPAC Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C29H60NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-26-29(36-28(2)31)27-35-37(32,33)25-22-20-23-30(3,4)5/h29H,6-27H2,1-5H3/p+1