1-methylpyridin-1-ium-3,5-dicarboxylic acid

Systemtic Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid Openeye Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid CAS Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid IUPAC Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid Traditional Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid Formula: C8H8NO4+ MolecularWeight: 182.15342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4/c1-9-3-5(7(10)11)2-6(4-9)8(12)13/h2-4H,1H3,(H-,10,11,12,13)/p+1