(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-5-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazole iodide Formula: C22H23IN2S MolecularWeight: 474.40089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C)SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C)S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

InChI

InChI=1S/C22H23N2S.HI/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-14-16(3)10-13-21(20)25-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1