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

Systemtic Name: 2-[[1-decoxy-3-(octadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(decoxymethyl)-2-(octadecylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-decoxy-3-(octadecylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-decoxy-3-(octadecylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(decoxymethyl)-2-(stearylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C36H78N2O5P+ MolecularWeight: 649.988681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C36H77N2O5P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-37-34-36(43-44(39,40)42-33-31-38(3,4)5)35-41-32-29-27-25-15-13-11-9-7-2/h36-37H,6-35H2,1-5H3/p+1