ethyl-dimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: ethyl-dimethyl-[2-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: ethyl-[2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxyethyl]-dimethyl-ammonium CAS Name: ethyl-[2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxyethyl]-dimethylammonium IUPAC Name: ethyl-[2-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxyethyl]-dimethylazanium Traditional Name: ethyl-[2-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxyethyl]-dimethyl-ammonium Formula: C38H71NO6P+ MolecularWeight: 668.947201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H70NO6P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-43-38-28-24-23-27-36(38)32-35(33-37(40)26-7-2)34-45-46(41,42)44-31-29-39(4,5)8-3/h23-24,27-28,35H,6-22,25-26,29-34H2,1-5H3/p+1