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

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole tosylate Formula: C29H30N2O4S2 MolecularWeight: 534.6895

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23N2OS.C7H8O3S/c1-4-23-17(11-10-16-8-6-7-9-19(16)23)14-22-24(5-2)20-15-18(25-3)12-13-21(20)26-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1