4-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanyl-2-phosphono-butanoic acid iodide

Systemtic Name: 4-(1-methylpyrrolidin-1-ium-1-yl)-2-oxidanyl-2-phosphono-butanoic acid iodide Openeye Name: 2-hydroxy-4-(1-methylpyrrolidin-1-ium-1-yl)-2-phosphono-butanoic acid iodide CAS Name: 2-hydroxy-4-(1-methyl-1-pyrrolidin-1-iumyl)-2-phosphonobutanoic acid iodide IUPAC Name: 2-hydroxy-4-(1-methylpyrrolidin-1-ium-1-yl)-2-phosphonobutanoic acid iodide Traditional Name: 2-hydroxy-4-(1-methylpyrrolidin-1-ium-1-yl)-2-phosphono-butyric acid iodide Formula: C9H19INO6P MolecularWeight: 395.128491

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC(C(=O)O)(O)P(=O)(O)O.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCC(C(=O)O)(O)P(=O)(O)O.[I-]

InChI

InChI=1S/C9H18NO6P.HI/c1-10(5-2-3-6-10)7-4-9(13,8(11)12)17(14,15)16;/h13H,2-7H2,1H3,(H2-,11,12,14,15,16);1H