3-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide

Systemtic Name: 3-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide Openeye Name: 3-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propanoic acid iodide CAS Name: 3-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide IUPAC Name: 3-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide Traditional Name: 3-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propionic acid iodide Formula: C17H17IN2O2S MolecularWeight: 440.29855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S.HI/c1-18-10-5-4-6-13(18)12-16-19(11-9-17(20)21)14-7-2-3-8-15(14)22-16;/h2-8,10,12H,9,11H2,1H3;1H