(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole tosylate Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21N2S.C7H8O3S/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;1-6-2-4-7(5-3-6)11(8,9)10/h5-15H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1