1-methoxy-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-methoxy-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-methoxy-2-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-methoxy-2-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-methoxy-2-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-methoxy-2-methyl-pyridin-1-ium 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-].CC1=CC=CC=[N+]1OC

Isomeric SMILES

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

InChI

InChI=1S/C7H10NO.C7H8O3S/c1-7-5-3-4-6-8(7)9-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1