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

Systemtic Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)acetic acid methyl ester Formula: C10H14NO2+ MolecularWeight: 180.22366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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