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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H70NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30-43-38-28-23-22-27-37(38)33-36(32-35(3)40)34-45-46(41,42)44-31-26-24-29-39(4,5)7-2/h22-23,27-28,36H,6-21,24-26,29-34H2,1-5H3/p+1