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

Systemtic Name: trimethyl-[2-[[1-octadecoxy-3-[(phenylmethyl)carbamoylamino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[[1-[(benzylcarbamoylamino)methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-octadecoxy-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(benzylcarbamoylamino)-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[(benzylcarbamoylamino)methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H65N3O6P+ MolecularWeight: 642.870161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C34H64N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-41-31-33(43-44(39,40)42-28-26-37(2,3)4)30-36-34(38)35-29-32-24-21-20-22-25-32/h20-22,24-25,33H,5-19,23,26-31H2,1-4H3,(H2-,35,36,38,39,40)/p+1