(2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5,6-dimethyl-1,3-benzothiazole iodide

Systemtic Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5,6-dimethyl-1,3-benzothiazole iodide Openeye Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5,6-dimethyl-1,3-benzothiazole iodide CAS Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-5,6-dimethyl-1,3-benzothiazole iodide IUPAC Name: (2E)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5,6-dimethyl-1,3-benzothiazole iodide Traditional Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5,6-dimethyl-1,3-benzothiazole iodide Formula: C24H27IN2S MolecularWeight: 502.45405

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)C)C)SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C24H27N2S.HI/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24;/h8-15H,6-7H2,1-5H3;1H/q+1;/p-1