4-methylbenzenesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone

Systemtic Name: 4-methylbenzenesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone Openeye Name: 4-methylbenzenesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone CAS Name: 4-methylbenzenesulfonate; (1-methyl-4-pyridin-1-iumyl)-phenylmethanone IUPAC Name: 4-methylbenzenesulfonate; (1-methylpyridin-1-ium-4-yl)-phenylmethanone Traditional Name: (1-methylpyridin-1-ium-4-yl)-phenyl-methanone tosylate Formula: C20H19NO4S MolecularWeight: 369.43416

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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)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO.C7H8O3S/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1