ethyl 2-methylpyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 2-methylpyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 2-methylpyridin-1-ium-4-carboxylate bromide CAS Name: 2-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-methylpyridin-1-ium-4-carboxylate bromide Traditional Name: 2-methylpyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C9H12BrNO2 MolecularWeight: 246.10108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[NH+]C=C1)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC(=[NH+]C=C1)C.[Br-]

InChI

InChI=1S/C9H11NO2.BrH/c1-3-12-9(11)8-4-5-10-7(2)6-8;/h4-6H,3H2,1-2H3;1H