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

Systemtic Name: methyl-[3-[oxidanyl-[2-(2-oxidanylidenepropyl)icosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[2-acetonylicosoxy(hydroxy)phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopropyl)eicosoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopropyl)icosoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[2-acetonyleicosoxy(hydroxy)phosphoryl]oxypropyl-methyl-ammonium Formula: C27H57NO5P+ MolecularWeight: 506.718941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27(24-26(2)29)25-33-34(30,31)32-23-20-22-28-3/h27-28H,4-25H2,1-3H3,(H,30,31)/p+1