methyl 3-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(2,3-dimethyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC2=CC=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C16H18NO2/c1-12-6-5-9-17(13(12)2)11-14-7-4-8-15(10-14)16(18)19-3/h4-10H,11H2,1-3H3/q+1