(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-ol tosylate Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)O)SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2OS.C7H8O3S/c1-3-22-16(10-9-15-7-5-6-8-18(15)22)13-21-23(4-2)19-14-17(24)11-12-20(19)25-21;1-6-2-4-7(5-3-6)11(8,9)10/h5-14H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)