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

Systemtic Name: methyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexoxy]phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)hexoxy]phosphoryl]oxybutyl-methyl-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)OCCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCCC[NH2+]C

InChI

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