4-methylbenzenesulfonic acid; 1-methylpyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methylpyridin-1-ium Openeye Name: 4-methylbenzenesulfonic acid; 1-methylpyridin-1-ium CAS Name: 4-methylbenzenesulfonic acid; 1-methylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonic acid; 1-methylpyridin-1-ium Traditional Name: 1-methylpyridin-1-ium; tosylic acid Formula: C13H16NO3S+ MolecularWeight: 266.33604

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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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H8N/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,8,9,10);2-6H,1H3/q;+1