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

Systemtic Name: 2-[[1-icosoxy-3-[(phenylmethyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[(benzylamino)methyl]-2-icosoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-eicosoxy-3-[(phenylmethyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(benzylamino)-3-icosoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(arachyloxymethyl)-2-(benzylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H68N2O5P+ MolecularWeight: 627.898581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C35H67N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-40-33-35(32-36-31-34-26-23-22-24-27-34)42-43(38,39)41-30-28-37(2,3)4/h22-24,26-27,35-36H,5-21,25,28-33H2,1-4H3/p+1