(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C23H25IN2S MolecularWeight: 488.42747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

Isomeric SMILES

CCCCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

InChI

InChI=1S/C23H25N2S.HI/c1-3-5-16-25-21-12-8-9-13-22(21)26-23(25)17-19-15-14-18-10-6-7-11-20(18)24(19)4-2;/h6-15,17H,3-5,16H2,1-2H3;1H/q+1;/p-1