(2Z)-3-ethyl-5-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-5-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-5-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-5-methyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-5-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-5-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C17H19IN2S MolecularWeight: 410.31563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C)SC1=CC3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C)S/C1=C\C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C17H19N2S.HI/c1-4-19-15-11-13(2)8-9-16(15)20-17(19)12-14-7-5-6-10-18(14)3;/h5-12H,4H2,1-3H3;1H/q+1;/p-1