methyl 3-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 3-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate Openeye Name: methyl 3-bromo-1-methyl-pyridin-1-ium-4-carboxylate CAS Name: 3-bromo-1-methyl-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-1-methylpyridin-1-ium-4-carboxylate Traditional Name: 3-bromo-1-methyl-pyridin-1-ium-4-carboxylic acid methyl ester Formula: C8H9BrNO2+ MolecularWeight: 231.06656

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)C(=O)OC)Br

Isomeric SMILES

C[N+]1=CC(=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C8H9BrNO2/c1-10-4-3-6(7(9)5-10)8(11)12-2/h3-5H,1-2H3/q+1