trimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)hexoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C36H67NO6P+ MolecularWeight: 640.894041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-41-36-26-23-22-25-34(36)30-33(31-35(38)7-2)32-43-44(39,40)42-29-27-37(3,4)5/h22-23,25-26,33H,6-21,24,27-32H2,1-5H3/p+1