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

Systemtic Name: dimethyl-[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-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)hexoxy]phosphoryl]oxybutyl-dimethyl-ammonium Formula: C37H69NO6P+ MolecularWeight: 654.920621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-42-37-27-22-21-26-35(37)31-34(32-36(39)6-2)33-44-45(40,41)43-30-25-23-28-38(3)4/h21-22,26-27,34H,5-20,23-25,28-33H2,1-4H3,(H,40,41)/p+1