4-chloranylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloropyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloropyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloropyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloropyridin-1-ium tosylate Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C[NH+]=CC=C1Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C[NH+]=CC=C1Cl

InChI

InChI=1S/C7H8O3S.C5H4ClN/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-1-3-7-4-2-5/h2-5H,1H3,(H,8,9,10);1-4H