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

Systemtic Name: trimethyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxybutyl-trimethyl-ammonium Formula: C39H73NO6P+ MolecularWeight: 682.973781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H72NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-44-39-29-23-22-28-37(39)33-36(34-38(41)27-7-2)35-46-47(42,43)45-32-26-24-30-40(3,4)5/h22-23,28-29,36H,6-21,24-27,30-35H2,1-5H3/p+1