2-[[(2S)-2-butanoyloxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2-butanoyloxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-butanoyloxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-3-hydroxy-2-(1-oxobutoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-butanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-butyryloxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C12H27NO7P+ MolecularWeight: 328.319041

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCC(=O)O[C@@H](CO)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C12H26NO7P/c1-5-6-12(15)20-11(9-14)10-19-21(16,17)18-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/p+1/t11-/m0/s1