4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbonitrile

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbonitrile Openeye Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbonitrile CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-1-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-4-carbonitrile Traditional Name: 1-methylpyridin-1-ium-4-carbonitrile tosylate Formula: C14H14N2O3S MolecularWeight: 290.33756

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C7H7N2.C7H8O3S/c1-9-4-2-7(6-8)3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1