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

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

Isomeric SMILES

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

InChI

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