4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 4-methylbenzenesulfonate; 1-methyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid methyl ester tosylate Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C8H10NO2.C7H8O3S/c1-9-5-3-4-7(6-9)8(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1