2-[(2-docosa-4,6,10,14,16,18-hexaenoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-docosa-4,6,10,14,16,18-hexaenoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-docosa-4,6,10,14,16,18-hexaenoyloxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-hexadecoxy-2-(1-oxodocosa-4,6,10,14,16,18-hexaenoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-docosa-4,6,10,14,16,18-hexaenoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-cetyloxy-2-docosa-4,6,10,14,16,18-hexaenoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H83NO7P+ MolecularWeight: 793.127481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=CC=CCCC=CCCC=CC=CC=CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=CC=CCCC=CCCC=CC=CC=CCCC

InChI

InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h10,12,14,16,18,20,24-25,29,31,33,35,45H,6-9,11,13,15,17,19,21-23,26-28,30,32,34,36-44H2,1-5H3/p+1