5,5-dimethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-pyridin-1-ium-1-yl-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-(1-pyridin-1-iumyl)-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-pyridin-1-ium-1-ylcyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-pyridin-1-ium-1-yl-cyclohexen-1-olate Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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