dimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: dimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C36H67NO6P+ MolecularWeight: 640.894041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CCC)COP(=O)(O)OCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CCC)COP(=O)(O)OCC[NH+](C)C

InChI

InChI=1S/C36H66NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-41-36-26-22-21-25-34(36)30-33(31-35(38)24-6-2)32-43-44(39,40)42-29-27-37(3)4/h21-22,25-26,33H,5-20,23-24,27-32H2,1-4H3,(H,39,40)/p+1