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

Systemtic Name: 4-methylbenzenesulfonate; 1,2,4,6-tetramethylpyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,4,6-tetramethylpyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,4,6-tetramethylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,4,6-tetramethylpyridin-1-ium Traditional Name: 1,2,4,6-tetramethylpyridin-1-ium tosylate Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N.C7H8O3S/c1-7-5-8(2)10(4)9(3)6-7;1-6-2-4-7(5-3-6)11(8,9)10/h5-6H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1