4-methylbenzenesulfonate; 1-(1-methylpyridin-1-ium-2-yl)benzotriazole

Systemtic Name: 4-methylbenzenesulfonate; 1-(1-methylpyridin-1-ium-2-yl)benzotriazole Openeye Name: 4-methylbenzenesulfonate; 1-(1-methylpyridin-1-ium-2-yl)benzotriazole CAS Name: 4-methylbenzenesulfonate; 1-(1-methyl-2-pyridin-1-iumyl)benzotriazole IUPAC Name: 4-methylbenzenesulfonate; 1-(1-methylpyridin-1-ium-2-yl)benzotriazole Traditional Name: 1-(1-methylpyridin-1-ium-2-yl)benzotriazole tosylate Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H11N4.C7H8O3S/c1-15-9-5-4-8-12(15)16-11-7-3-2-6-10(11)13-14-16;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