dimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl]azanium

Systemtic Name: dimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C37H69NO6P+ MolecularWeight: 654.920621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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