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

Systemtic Name: (2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide Openeye Name: (2Z)-3-allyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide Traditional Name: (2Z)-3-allyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C17H17IN2S MolecularWeight: 408.29975

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C2N(C3=CC=CC=C3S2)CC=C.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C\2/N(C3=CC=CC=C3S2)CC=C.[I-]

InChI

InChI=1S/C17H17N2S.HI/c1-3-11-19-15-9-4-5-10-16(15)20-17(19)13-14-8-6-7-12-18(14)2;/h3-10,12-13H,1,11H2,2H3;1H/q+1;/p-1