1-(2,2-dimethyl-5-oxidanyl-pyrazolidin-2-ium-1-yl)butane-1,3-dione chloride

Systemtic Name: 1-(2,2-dimethyl-5-oxidanyl-pyrazolidin-2-ium-1-yl)butane-1,3-dione chloride Openeye Name: 1-(5-hydroxy-2,2-dimethyl-pyrazolidin-2-ium-1-yl)butane-1,3-dione chloride CAS Name: 1-(5-hydroxy-2,2-dimethyl-1-pyrazolidin-2-iumyl)butane-1,3-dione chloride IUPAC Name: 1-(5-hydroxy-2,2-dimethylpyrazolidin-2-ium-1-yl)butane-1,3-dione chloride Traditional Name: 1-(5-hydroxy-2,2-dimethyl-pyrazolidin-2-ium-1-yl)butane-1,3-dione chloride Formula: C9H17ClN2O3 MolecularWeight: 236.69588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1C(CC[N+]1(C)C)O.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)N1C(CC[N+]1(C)C)O.[Cl-]

InChI

InChI=1S/C9H17N2O3.ClH/c1-7(12)6-9(14)10-8(13)4-5-11(10,2)3;/h8,13H,4-6H2,1-3H3;1H/q+1;/p-1