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

Systemtic Name: (2Z)-3-ethyl-2-[(1-prop-2-enylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1-allylpyridin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(1-prop-2-enyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(1-prop-2-enylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1-allylpyridin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole iodide Formula: C18H19IN2S MolecularWeight: 422.32633

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC=CC=[N+]3CC=C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC=CC=[N+]3CC=C.[I-]

InChI

InChI=1S/C18H19N2S.HI/c1-3-12-19-13-8-7-9-15(19)14-18-20(4-2)16-10-5-6-11-17(16)21-18;/h3,5-11,13-14H,1,4,12H2,2H3;1H/q+1;/p-1