methyl 1-(bromomethyl)pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-(bromomethyl)pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-(bromomethyl)pyridin-1-ium-3-carboxylate bromide CAS Name: 1-(bromomethyl)-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-(bromomethyl)pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-(bromomethyl)pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C8H9Br2NO2 MolecularWeight: 310.97056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CBr.[Br-]

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CBr.[Br-]

InChI

InChI=1S/C8H9BrNO2.BrH/c1-12-8(11)7-3-2-4-10(5-7)6-9;/h2-5H,6H2,1H3;1H/q+1;/p-1