(2,6-dimethylpyridin-1-ium-4-yl) benzoate

Systemtic Name: (2,6-dimethylpyridin-1-ium-4-yl) benzoate Openeye Name: (2,6-dimethylpyridin-1-ium-4-yl) benzoate CAS Name: benzoic acid (2,6-dimethyl-4-pyridin-1-iumyl) ester IUPAC Name: (2,6-dimethylpyridin-1-ium-4-yl) benzoate Traditional Name: benzoic acid (2,6-dimethylpyridin-1-ium-4-yl) ester Formula: C14H14NO2+ MolecularWeight: 228.26646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-10-8-13(9-11(2)15-10)17-14(16)12-6-4-3-5-7-12/h3-9H,1-2H3/p+1