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

Systemtic Name: ethyl-dimethyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl]azanium Openeye Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxybutyl]-dimethyl-ammonium CAS Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl]-dimethylammonium IUPAC Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl]-dimethylazanium Traditional Name: ethyl-[4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxybutyl]-dimethyl-ammonium Formula: C40H75NO6P+ MolecularWeight: 697.000361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74NO6P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-45-40-30-24-23-29-38(40)34-37(35-39(42)28-7-2)36-47-48(43,44)46-33-27-25-31-41(4,5)8-3/h23-24,29-30,37H,6-22,25-28,31-36H2,1-5H3/p+1