4-[(2-acetyloxy-5-methyl-icosoxy)-oxidanyl-phosphoryl]oxybutyl-methyl-azanium

Systemtic Name: 4-[(2-acetyloxy-5-methyl-icosoxy)-oxidanyl-phosphoryl]oxybutyl-methyl-azanium Openeye Name: 4-[(2-acetoxy-5-methyl-icosoxy)-hydroxy-phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[(2-acetyloxy-5-methyleicosoxy)-hydroxyphosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[(2-acetyloxy-5-methylicosoxy)-hydroxyphosphoryl]oxybutyl-methylazanium Traditional Name: 4-[(2-acetoxy-5-methyl-eicosoxy)-hydroxy-phosphoryl]oxybutyl-methyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)CCC(COP(=O)(O)OCCCC[NH2+]C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)CCC(COP(=O)(O)OCCCC[NH2+]C)OC(=O)C

InChI

InChI=1S/C28H58NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26(2)21-22-28(35-27(3)30)25-34-36(31,32)33-24-19-18-23-29-4/h26,28-29H,5-25H2,1-4H3,(H,31,32)/p+1