4-methylbenzenesulfonate; 2,4,6-trimethylpyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,4,6-trimethylpyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 2,4,6-trimethylpyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 2,4,6-trimethylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2,4,6-trimethylpyridin-1-ium Traditional Name: 2,4,6-trimethylpyridin-1-ium tosylate Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[NH+]C(=C1)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[NH+]C(=C1)C)C

InChI

InChI=1S/C8H11N.C7H8O3S/c1-6-4-7(2)9-8(3)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3H3;2-5H,1H3,(H,8,9,10)