methanol; 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoic acid; bromide

Systemtic Name: methanol; 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoic acid; bromide Openeye Name: methanol; 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid; bromide CAS Name: methanol; 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)acetic acid; bromide IUPAC Name: methanol; 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)acetic acid; bromide Traditional Name: methanol; 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid; bromide Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CN=CC=C1C2=CC=[N+](C=C2)CC(=O)O.[Br-]

Isomeric SMILES

CO.C1=CN=CC=C1C2=CC=[N+](C=C2)CC(=O)O.[Br-]

InChI

InChI=1S/C12H10N2O2.CH4O.BrH/c15-12(16)9-14-7-3-11(4-8-14)10-1-5-13-6-2-10;1-2;/h1-8H,9H2;2H,1H3;1H