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

Systemtic Name: 2-[[1-hexadecoxy-3-[methyl(methylcarbamoyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-[methyl(methylcarbamoyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[methyl(methylcarbamoyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-[methyl(methylcarbamoyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-[methyl(methylcarbamoyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H59N3O6P+ MolecularWeight: 552.747621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H58N3O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-34-25-26(24-29(3)27(31)28-2)36-37(32,33)35-23-21-30(4,5)6/h26H,7-25H2,1-6H3,(H-,28,31,32,33)/p+1