methyl 2-(2-chloranylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(2-chloranylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(2-chloropyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(2-chloro-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(2-chloropyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(2-chloropyridin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C8H9BrClNO2 MolecularWeight: 266.51956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC=C1Cl.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=CC=C1Cl.[Br-]

InChI

InChI=1S/C8H9ClNO2.BrH/c1-12-8(11)6-10-5-3-2-4-7(10)9;/h2-5H,6H2,1H3;1H/q+1;/p-1