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

Systemtic Name: 2-[[1-(butanoylamino)-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[(butanoylamino)methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-octadecoxy-3-(1-oxobutylamino)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(butanoylamino)-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(butyramidomethyl)-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H64N2O6P+ MolecularWeight: 579.812721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C30H63N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-36-28-29(27-31-30(33)23-7-2)38-39(34,35)37-26-24-32(3,4)5/h29H,6-28H2,1-5H3,(H-,31,33,34,35)/p+1