3-oxidanylidenebutanoic acid; trimethylazanium; chloride

Systemtic Name: 3-oxidanylidenebutanoic acid; trimethylazanium; chloride Openeye Name: 3-oxobutanoic acid; trimethylammonium; chloride CAS Name: 3-oxobutanoic acid; trimethylammonium; chloride IUPAC Name: 3-oxobutanoic acid; trimethylazanium; chloride Traditional Name: acetoacetic acid; trimethylammonium; chloride Formula: C7H16ClNO3 MolecularWeight: 197.65984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)O.C[NH+](C)C.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)O.C[NH+](C)C.[Cl-]

InChI

InChI=1S/C4H6O3.C3H9N.ClH/c1-3(5)2-4(6)7;1-4(2)3;/h2H2,1H3,(H,6,7);1-3H3;1H