4-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylethanol Openeye Name: 4-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylethanol CAS Name: 4-methylbenzenesulfonate; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylethanol Traditional Name: 2-pyridin-1-ium-1-ylethanol tosylate Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10NO.C7H8O3S/c9-7-6-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,9H,6-7H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1