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

Systemtic Name: methyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptoxy]phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxoheptoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)heptoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C37H69NO6P+ MolecularWeight: 654.920621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-42-37-27-21-20-26-35(37)31-34(32-36(39)25-5-2)33-44-45(40,41)43-30-24-22-28-38-3/h20-21,26-27,34,38H,4-19,22-25,28-33H2,1-3H3,(H,40,41)/p+1