5,5-dimethyl-3-(3-oxidanylpyridin-1-ium-1-yl)cyclohex-2-en-1-one chloride

Systemtic Name: 5,5-dimethyl-3-(3-oxidanylpyridin-1-ium-1-yl)cyclohex-2-en-1-one chloride Openeye Name: 3-(3-hydroxypyridin-1-ium-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one chloride CAS Name: 3-(3-hydroxy-1-pyridin-1-iumyl)-5,5-dimethyl-1-cyclohex-2-enone chloride IUPAC Name: 3-(3-hydroxypyridin-1-ium-1-yl)-5,5-dimethylcyclohex-2-en-1-one chloride Traditional Name: 3-(3-hydroxypyridin-1-ium-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one chloride Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)[N+]2=CC=CC(=C2)O)C.[Cl-]

Isomeric SMILES

CC1(CC(=CC(=O)C1)[N+]2=CC=CC(=C2)O)C.[Cl-]

InChI

InChI=1S/C13H15NO2.ClH/c1-13(2)7-10(6-12(16)8-13)14-5-3-4-11(15)9-14;/h3-6,9H,7-8H2,1-2H3;1H