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

Systemtic Name: 2-[[1-hexadecoxy-3-(methylcarbamoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-(methylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-(methylcarbamoylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-(methylcarbamoylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-(methylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H57N3O6P+ MolecularWeight: 538.721041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C26H56N3O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-33-24-25(23-28-26(30)27-2)35-36(31,32)34-22-20-29(3,4)5/h25H,6-24H2,1-5H3,(H2-,27,28,30,31,32)/p+1