diethyl 2-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-3-pyridin-1-ium-1-yl-butanedioate

Systemtic Name: diethyl 2-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-3-pyridin-1-ium-1-yl-butanedioate Openeye Name: diethyl 2-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-pyridin-1-ium-1-yl-butanedioate CAS Name: 2-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-(1-pyridin-1-iumyl)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-pyridin-1-ium-1-ylbutanedioate Traditional Name: 2-(4-hydroxy-6-keto-2,2-dimethyl-1,3-dioxin-5-yl)-3-pyridin-1-ium-1-yl-succinic acid diethyl ester Formula: C19H24NO8+ MolecularWeight: 394.39576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(OC(OC1=O)(C)C)O)C(C(=O)OCC)[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1=C(OC(OC1=O)(C)C)O)C(C(=O)OCC)[N+]2=CC=CC=C2

InChI

InChI=1S/C19H23NO8/c1-5-25-15(21)12(13-16(22)27-19(3,4)28-17(13)23)14(18(24)26-6-2)20-10-8-7-9-11-20/h7-12,14H,5-6H2,1-4H3/p+1