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1-methylpyridin-1-ium-3-carboxylate iodide

1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name:1-methylpyridin-1-ium-3-carboxylate iodide
Openeye Name:1-methylpyridin-1-ium-3-carboxylate iodide
CAS Name:1-methyl-3-pyridin-1-iumcarboxylate iodide
IUPAC Name:1-methylpyridin-1-ium-3-carboxylate iodide
Traditional Name:trigonelline iodide
Formula: C7H7INO2-
MolecularWeight: 264.04045
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H7NO2.HI/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H/p-1


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