iodanylmethane; 1-methylpyridin-1-ium-4-carboxylic acid; pyridine-4-carboxylate

Systemtic Name: iodanylmethane; 1-methylpyridin-1-ium-4-carboxylic acid; pyridine-4-carboxylate Openeye Name: iodomethane; 1-methylpyridin-1-ium-4-carboxylic acid; pyridine-4-carboxylate CAS Name: iodomethane; 1-methyl-4-pyridin-1-iumcarboxylic acid; 4-pyridinecarboxylate IUPAC Name: iodomethane; 1-methylpyridin-1-ium-4-carboxylic acid; pyridine-4-carboxylate Traditional Name: iodomethane; isonicotinate; 1-methylpyridin-1-ium-4-carboxylic acid Formula: C14H15IN2O4 MolecularWeight: 402.18437

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)O.CI.C1=CN=CC=C1C(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)O.CI.C1=CN=CC=C1C(=O)[O-]

InChI

InChI=1S/C7H7NO2.C6H5NO2.CH3I/c1-8-4-2-6(3-5-8)7(9)10;8-6(9)5-1-3-7-4-2-5;1-2/h2-5H,1H3;1-4H,(H,8,9);1H3