4-methylbenzenesulfonate; 1-methylpyridin-1-ium-2-amine

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-2-amine Openeye Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-2-amine CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-pyridin-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-2-amine Traditional Name: (1-methylpyridin-1-ium-2-yl)amine tosylate Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1N

InChI

InChI=1S/C7H8O3S.C6H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5,7H,1H3