3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid

Systemtic Name: 3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid Openeye Name: 3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid CAS Name: 3-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzoic acid IUPAC Name: 3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid Traditional Name: 3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid Formula: C15H16NO2+ MolecularWeight: 242.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2/c1-10-7-11(2)16(12(3)8-10)14-6-4-5-13(9-14)15(17)18/h4-9H,1-3H3/p+1