2-methyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioic acid

Systemtic Name: 2-methyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioic acid Openeye Name: 2-methyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]propanedioic acid CAS Name: 2-methyl-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)propanedioic acid IUPAC Name: 2-methyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioic acid Traditional Name: 2-methyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]malonic acid Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(=O)O)[N+]1=CC=C(C=C1)C2=CC=NC=C2

Isomeric SMILES

CC(C(=O)O)(C(=O)O)[N+]1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C14H12N2O4/c1-14(12(17)18,13(19)20)16-8-4-11(5-9-16)10-2-6-15-7-3-10/h2-9H,1H3,(H-,17,18,19,20)/p+1