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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-41-36-26-21-20-25-35(36)31-34(30-33(2)38)32-43-44(39,40)42-29-24-22-27-37(3)4/h20-21,25-26,34H,5-19,22-24,27-32H2,1-4H3,(H,39,40)/p+1