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

Systemtic Name: methyl-[2-[oxidanyl-[2-(2-oxidanylidenepropyl)henicosoxy]phosphoryl]oxyethyl]azanium Openeye Name: 2-[2-acetonylhenicosoxy(hydroxy)phosphoryl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(2-oxopropyl)heneicosoxy]phosphoryl]oxyethyl-methylammonium IUPAC Name: 2-[hydroxy-[2-(2-oxopropyl)henicosoxy]phosphoryl]oxyethyl-methylazanium Traditional Name: 2-[2-acetonylheneicosoxy(hydroxy)phosphoryl]oxyethyl-methyl-ammonium Formula: C27H57NO5P+ MolecularWeight: 506.718941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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