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

Systemtic Name: (2Z)-3-methyl-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-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-3-methyl-2-[(1-prop-2-enyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-methyl-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-methyl-1,3-benzothiazole iodide Formula: C17H17IN2S MolecularWeight: 408.29975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=CC=[N+]3CC=C.[I-]

Isomeric SMILES

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

InChI

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