1-methylpyridin-1-ium-3-ol; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-methylpyridin-1-ium-3-ol; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 1-methylpyridin-1-ium-3-ol CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 1-methyl-3-pyridin-1-iumol IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 1-methylpyridin-1-ium-3-ol Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 1-methylpyridin-1-ium-3-ol Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+]1=CC=CC(=C1)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C6H7NO.C4H4O4/c1-7-4-2-3-6(8)5-7;5-3(6)1-2-4(7)8/h2-5H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+