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

Systemtic Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3,5-dimethyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C16H17IN2S MolecularWeight: 396.28905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC3=CC=CC=[N+]3C)N2C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C\C3=CC=CC=[N+]3C)/N2C.[I-]

InChI

InChI=1S/C16H17N2S.HI/c1-12-7-8-15-14(10-12)18(3)16(19-15)11-13-6-4-5-9-17(13)2;/h4-11H,1-3H3;1H/q+1;/p-1