4-methylbenzenesulfonate; 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium Openeye Name: 4-methylbenzenesulfonate; 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium CAS Name: 4-methylbenzenesulfonate; 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium IUPAC Name: 4-methylbenzenesulfonate; 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium Traditional Name: 2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium tosylate Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(C1(C)C)C=CC=[N+]2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(C1(C)C)C=CC=[N+]2C

InChI

InChI=1S/C11H15N2.C7H8O3S/c1-8-11(2,3)9-6-5-7-13(4)10(9)12-8;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1