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

Systemtic Name: 2-[[1-hexadecoxy-3-(phenethylcarbamoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-(phenethylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[[oxo-(phenethylamino)methyl]amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-(phenethylcarbamoylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-(phenethylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H63N3O6P+ MolecularWeight: 628.843581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C33H62N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-40-30-32(42-43(38,39)41-28-26-36(2,3)4)29-35-33(37)34-25-24-31-22-19-18-20-23-31/h18-20,22-23,32H,5-17,21,24-30H2,1-4H3,(H2-,34,35,37,38,39)/p+1