2-ethoxypyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-ethoxypyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethoxypyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-ethoxypyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethoxypyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethoxypyridin-1-ium tosylate Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=[NH+]1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=[NH+]1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H9NO.C7H8O3S/c1-2-9-7-5-3-4-6-8-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,2H2,1H3;2-5H,1H3,(H,8,9,10)