5-ethyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione

Systemtic Name: 5-ethyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione Openeye Name: 5-ethyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione CAS Name: 5-ethyl-2,2-dimethyl-5-(1-methyl-4-pyridin-1-iumyl)-1,3-dioxane-4,6-dione IUPAC Name: 5-ethyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione Traditional Name: 5-ethyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-quinone Formula: C14H18NO4+ MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)OC(OC1=O)(C)C)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCC1(C(=O)OC(OC1=O)(C)C)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C14H18NO4/c1-5-14(10-6-8-15(4)9-7-10)11(16)18-13(2,3)19-12(14)17/h6-9H,5H2,1-4H3/q+1