4-methylbenzenesulfonate; 3-(1-methylpyridin-1-ium-3-yl)quinoline

Systemtic Name: 4-methylbenzenesulfonate; 3-(1-methylpyridin-1-ium-3-yl)quinoline Openeye Name: 4-methylbenzenesulfonate; 3-(1-methylpyridin-1-ium-3-yl)quinoline CAS Name: 4-methylbenzenesulfonate; 3-(1-methyl-3-pyridin-1-iumyl)quinoline IUPAC Name: 4-methylbenzenesulfonate; 3-(1-methylpyridin-1-ium-3-yl)quinoline Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)quinoline tosylate Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C15H13N2.C7H8O3S/c1-17-8-4-6-13(11-17)14-9-12-5-2-3-7-15(12)16-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1