(2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole tosylate Formula: C30H32N2O4S2 MolecularWeight: 548.71608

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25N2OS.C7H8O3S/c1-5-24-18(9-8-17-13-16(3)7-11-20(17)24)14-23-25(6-2)21-15-19(26-4)10-12-22(21)27-23;1-6-2-4-7(5-3-6)11(8,9)10/h7-15H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1