2-[(3-hexadecoxy-2-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-hexadecoxy-2-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-hexadecoxy-2-octadecoxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(3-hexadecoxy-2-octadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-hexadecoxy-2-octadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-cetyloxy-2-stearyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H89NO6P+ MolecularWeight: 735.132921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H88NO6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-47-42(41-49-50(44,45)48-39-36-43(3,4)5)40-46-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1