4-methylbenzenesulfonate; (2E)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2E)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole tosylate Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC3=CC=CC=[N+]3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C/C3=CC=CC=[N+]3C

InChI

InChI=1S/C15H15N2S.C7H8O3S/c1-16-10-6-5-7-12(16)11-15-17(2)13-8-3-4-9-14(13)18-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1