methyl 2-(3-methanoylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(3-methanoylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(3-formylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(3-formyl-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(3-formylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-formylpyridin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C9H10BrNO3 MolecularWeight: 260.0846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC(=C1)C=O.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=CC(=C1)C=O.[Br-]

InChI

InChI=1S/C9H10NO3.BrH/c1-13-9(12)6-10-4-2-3-8(5-10)7-11;/h2-5,7H,6H2,1H3;1H/q+1;/p-1