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

Systemtic Name: methyl-[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-methyl-ammonium CAS Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)pentoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C35H65NO6P+ MolecularWeight: 626.867461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCCC[NH2+]C

InChI

InChI=1S/C35H64NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-40-35-25-20-19-24-34(35)30-33(29-32(2)37)31-42-43(38,39)41-28-23-21-26-36-3/h19-20,24-25,33,36H,4-18,21-23,26-31H2,1-3H3,(H,38,39)/p+1