4-methylbenzenesulfonate; 3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonate; 3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonate; 3-methyl-2-[2-(1-piperidin-1-iumylidene)ethylidene]-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole Traditional Name: 3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole tosylate Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC=[N+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC=[N+]3CCCCC3

InChI

InChI=1S/C15H19N2S.C7H8O3S/c1-16-13-7-3-4-8-14(13)18-15(16)9-12-17-10-5-2-6-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7-9,12H,2,5-6,10-11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1