5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one iodide

Systemtic Name: 5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one iodide Openeye Name: 5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one iodide CAS Name: 5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-8-quinolin-1-iumone iodide IUPAC Name: 5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one iodide Traditional Name: 5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one iodide Formula: C19H15IN2OS MolecularWeight: 446.30467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC=C3C=CC(=O)C4=C3C=CC=[NH+]4.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2SC1=CC=C3C=CC(=O)C4=C3C=CC=[NH+]4.[I-]

InChI

InChI=1S/C19H14N2OS.HI/c1-21-15-6-2-3-7-17(15)23-18(21)11-9-13-8-10-16(22)19-14(13)5-4-12-20-19;/h2-12H,1H3;1H