methyl-[3-[oxidanyl-[2-(2-oxidanylidenepropyl)henicosoxy]phosphoryl]oxypropyl]azanium

Systemtic Name: methyl-[3-[oxidanyl-[2-(2-oxidanylidenepropyl)henicosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[2-acetonylhenicosoxy(hydroxy)phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopropyl)heneicosoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopropyl)henicosoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[2-acetonylheneicosoxy(hydroxy)phosphoryl]oxypropyl-methyl-ammonium Formula: C28H59NO5P+ MolecularWeight: 520.745521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCC[NH2+]C

InChI

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