methyl 2-azanyl-5-bromanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-azanyl-5-bromanyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-amino-5-bromo-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-bromo-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-amino-5-bromopyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-bromo-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C7H8BrN2O2+ MolecularWeight: 232.05462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C[NH+]=C1N)Br

Isomeric SMILES

COC(=O)C1=CC(=C[NH+]=C1N)Br

InChI

InChI=1S/C7H7BrN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)/p+1