4-methylbenzenesulfonate; 1-methyl-4-pyridin-4-yl-pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-4-yl-pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-4-(4-pyridyl)pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-4-ylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-4-ylpyridin-1-ium Traditional Name: 1-methyl-4-(4-pyridyl)pyridin-1-ium tosylate Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C11H11N2.C7H8O3S/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1