(2E)-6-chloranyl-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2E)-6-chloranyl-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2E)-6-chloro-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2E)-6-chloro-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide Formula: C19H16ClIN2S MolecularWeight: 466.76621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)SC1=CC3=CC=[N+](C4=CC=CC=C34)C.[I-]

Isomeric SMILES

CN\1C2=C(C=C(C=C2)Cl)S/C1=C/C3=CC=[N+](C4=CC=CC=C34)C.[I-]

InChI

InChI=1S/C19H16ClN2S.HI/c1-21-10-9-13(15-5-3-4-6-16(15)21)11-19-22(2)17-8-7-14(20)12-18(17)23-19;/h3-12H,1-2H3;1H/q+1;/p-1