1,1-dimethyl-2-(3-oxidanylidenebutanoyl)pyrazolidin-1-ium-3-olate hydrochloride

Systemtic Name: 1,1-dimethyl-2-(3-oxidanylidenebutanoyl)pyrazolidin-1-ium-3-olate hydrochloride Openeye Name: 1,1-dimethyl-2-(3-oxobutanoyl)pyrazolidin-1-ium-3-olate hydrochloride CAS Name: 2-(1,3-dioxobutyl)-1,1-dimethyl-3-pyrazolidin-1-iumolate hydrochloride IUPAC Name: 1,1-dimethyl-2-(3-oxobutanoyl)pyrazolidin-1-ium-3-olate hydrochloride Traditional Name: 2-acetoacetyl-1,1-dimethyl-pyrazolidin-1-ium-3-olate hydrochloride 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/C9H16N2O3.ClH/c1-7(12)6-9(14)10-8(13)4-5-11(10,2)3;/h8H,4-6H2,1-3H3;1H