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

Systemtic Name: trimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-pentoxy]phosphoryl]oxypropyl-trimethyl-ammonium CAS Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl-trimethylammonium IUPAC Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl-trimethylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)pentoxy]phosphoryl]oxypropyl-trimethyl-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)OCCC[N+](C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-41-36-26-22-21-25-35(36)31-34(30-33(2)38)32-43-44(39,40)42-29-24-27-37(3,4)5/h21-22,25-26,34H,6-20,23-24,27-32H2,1-5H3/p+1