ethyl 2-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 2-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate Openeye Name: ethyl 2-bromo-1-methyl-pyridin-1-ium-4-carboxylate CAS Name: 2-bromo-1-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-bromo-1-methylpyridin-1-ium-4-carboxylate Traditional Name: 2-bromo-1-methyl-pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C9H11BrNO2+ MolecularWeight: 245.09314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrNO2/c1-3-13-9(12)7-4-5-11(2)8(10)6-7/h4-6H,3H2,1-2H3/q+1