(E)-4,4-dimethyl-1-(3-oxidanylpyridin-1-ium-1-yl)pent-1-en-3-one chloride

Systemtic Name: (E)-4,4-dimethyl-1-(3-oxidanylpyridin-1-ium-1-yl)pent-1-en-3-one chloride Openeye Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4,4-dimethyl-pent-1-en-3-one chloride CAS Name: (E)-1-(3-hydroxy-1-pyridin-1-iumyl)-4,4-dimethyl-1-penten-3-one chloride IUPAC Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4,4-dimethylpent-1-en-3-one chloride Traditional Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4,4-dimethyl-pent-1-en-3-one chloride Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C[N+]1=CC=CC(=C1)O.[Cl-]

Isomeric SMILES

CC(C)(C)C(=O)/C=C/[N+]1=CC=CC(=C1)O.[Cl-]

InChI

InChI=1S/C12H15NO2.ClH/c1-12(2,3)11(15)6-8-13-7-4-5-10(14)9-13;/h4-9H,1-3H3;1H/b8-6+;