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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C=C2N(C3=C(S2)C=CC(=C3)C)C.[I-]

Isomeric SMILES

CC[N+]1=CC=CC=C1/C=C\2/N(C3=C(S2)C=CC(=C3)C)C.[I-]

InChI

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