2-(1-methylindol-3-yl)-4-(1-methylpyridin-1-ium-2-yl)-1,3-thiazole iodide

Systemtic Name: 2-(1-methylindol-3-yl)-4-(1-methylpyridin-1-ium-2-yl)-1,3-thiazole iodide Openeye Name: 2-(1-methylindol-3-yl)-4-(1-methylpyridin-1-ium-2-yl)thiazole iodide CAS Name: 2-(1-methyl-3-indolyl)-4-(1-methyl-2-pyridin-1-iumyl)thiazole iodide IUPAC Name: 2-(1-methylindol-3-yl)-4-(1-methylpyridin-1-ium-2-yl)-1,3-thiazole iodide Traditional Name: 2-(1-methylindol-3-yl)-4-(1-methylpyridin-1-ium-2-yl)thiazole iodide Formula: C18H16IN3S MolecularWeight: 433.30921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CC=CC=[N+]4C.[I-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CC=CC=[N+]4C.[I-]

InChI

InChI=1S/C18H16N3S.HI/c1-20-10-6-5-9-17(20)15-12-22-18(19-15)14-11-21(2)16-8-4-3-7-13(14)16;/h3-12H,1-2H3;1H/q+1;/p-1