ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C11H16BrNO2 MolecularWeight: 274.15424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO2.BrH/c1-4-14-11(13)8-12-6-9(2)5-10(3)7-12;/h5-7H,4,8H2,1-3H3;1H/q+1;/p-1