methyl-[4-[oxidanyl-[2-(2-oxidanylidenepropyl)icosoxy]phosphoryl]oxybutyl]azanium

Systemtic Name: methyl-[4-[oxidanyl-[2-(2-oxidanylidenepropyl)icosoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[2-acetonylicosoxy(hydroxy)phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxopropyl)eicosoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxopropyl)icosoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[2-acetonyleicosoxy(hydroxy)phosphoryl]oxybutyl-methyl-ammonium Formula: C28H59NO5P+ MolecularWeight: 520.745521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28(25-27(2)30)26-34-35(31,32)33-24-21-20-23-29-3/h28-29H,4-26H2,1-3H3,(H,31,32)/p+1