4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-3-pyridin-1-iumyl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-3-yl)ethanol Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)ethanol tosylate Formula: C15H19NO4S MolecularWeight: 309.38066

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C8H12NO.C7H8O3S/c1-9-5-2-3-8(7-9)4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5,7,10H,4,6H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1