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

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-ol tosylate Formula: C29H30N2O4S2 MolecularWeight: 534.6895

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)O)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)O)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/C22H22N2OS.C7H8O3S/c1-4-23-17(8-7-16-12-15(3)6-10-19(16)23)13-22-24(5-2)20-14-18(25)9-11-21(20)26-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)