2-[[3-(hexadecanoylamino)cyclohexyl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(hexadecanoylamino)cyclohexyl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(hexadecanoylamino)cyclohexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxohexadecylamino)cyclohexyl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(hexadecanoylamino)cyclohexyl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(3-palmitamidocyclohexoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H56N2O5P+ MolecularWeight: 519.717701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1CCCC(C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1CCCC(C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C27H55N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27(30)28-25-19-18-20-26(24-25)34-35(31,32)33-23-22-29(2,3)4/h25-26H,5-24H2,1-4H3,(H-,28,30,31,32)/p+1