2-bromanyl-1-methyl-pyridin-1-ium-3-ol; 4-methylbenzenesulfonate

Systemtic Name: 2-bromanyl-1-methyl-pyridin-1-ium-3-ol; 4-methylbenzenesulfonate Openeye Name: 2-bromo-1-methyl-pyridin-1-ium-3-ol; 4-methylbenzenesulfonate CAS Name: 2-bromo-1-methyl-3-pyridin-1-iumol; 4-methylbenzenesulfonate IUPAC Name: 2-bromo-1-methylpyridin-1-ium-3-ol; 4-methylbenzenesulfonate Traditional Name: 2-bromo-1-methyl-pyridin-1-ium-3-ol tosylate Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1Br)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1Br)O

InChI

InChI=1S/C7H8O3S.C6H6BrNO/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4-2-3-5(9)6(8)7/h2-5H,1H3,(H,8,9,10);2-4H,1H3