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

Systemtic Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C10H14BrNO2 MolecularWeight: 260.12766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CC(=O)OC)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CC(=O)OC)C.[Br-]

InChI

InChI=1S/C10H14NO2.BrH/c1-8-4-9(2)6-11(5-8)7-10(12)13-3;/h4-6H,7H2,1-3H3;1H/q+1;/p-1