2-[[1-(hexadecylamino)-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-(hexadecylamino)-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[(hexadecylamino)methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-(hexadecylamino)-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(hexadecylamino)-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[(cetylamino)methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H90N2O5P+ MolecularWeight: 734.148161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H89N2O5P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-47-41-42(49-50(45,46)48-39-37-44(3,4)5)40-43-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42-43H,6-41H2,1-5H3/p+1