1-methoxypyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-methoxypyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-methoxypyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-methoxypyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-methoxypyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-methoxypyridin-1-ium tosylate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H8NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-7-5-3-2-4-6-7/h2-5H,1H3,(H,8,9,10);2-6H,1H3/q;+1/p-1