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

Systemtic Name: methyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C9H11BrN2O3 MolecularWeight: 275.09924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O3.BrH/c1-14-8(12)6-11-4-2-3-7(5-11)9(10)13;/h2-5H,6H2,1H3,(H-,10,13);1H