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

Systemtic Name: 5-butyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione Openeye Name: 5-butyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione CAS Name: 5-butyl-2,2-dimethyl-5-(1-methyl-4-pyridin-1-iumyl)-1,3-dioxane-4,6-dione IUPAC Name: 5-butyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-dione Traditional Name: 5-butyl-2,2-dimethyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-dioxane-4,6-quinone Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)OC(OC1=O)(C)C)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCCCC1(C(=O)OC(OC1=O)(C)C)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C16H22NO4/c1-5-6-9-16(12-7-10-17(4)11-8-12)13(18)20-15(2,3)21-14(16)19/h7-8,10-11H,5-6,9H2,1-4H3/q+1