methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate

Systemtic Name: methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate Openeye Name: methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid methyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C16H18NO2/c1-11-9-12(2)17(13(3)10-11)15-8-6-5-7-14(15)16(18)19-4/h5-10H,1-4H3/q+1