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

Systemtic Name: ethyl-dimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxypropyl]azanium Openeye Name: ethyl-[3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-pentoxy]phosphoryl]oxypropyl]-dimethyl-ammonium CAS Name: ethyl-[3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl]-dimethylammonium IUPAC Name: ethyl-[3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl]-dimethylazanium Traditional Name: ethyl-[3-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)pentoxy]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)C)COP(=O)(O)OCCC[N+](C)(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-42-37-27-23-22-26-36(37)32-35(31-34(3)39)33-44-45(40,41)43-30-25-28-38(4,5)7-2/h22-23,26-27,35H,6-21,24-25,28-33H2,1-5H3/p+1