2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide

Systemtic Name: 2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Openeye Name: 2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide CAS Name: 2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide IUPAC Name: 2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Traditional Name: 2-[(1Z)-1-(1-phenyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Formula: C24H19IN2S MolecularWeight: 494.39053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](=C2C=CC=CC2=C1)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4.[I-]

Isomeric SMILES

C/C(=C\1/C[N+](=C2C=CC=CC2=C1)C3=CC=CC=C3)/C4=NC5=CC=CC=C5S4.[I-]

InChI

InChI=1S/C24H19N2S.HI/c1-17(24-25-21-12-6-8-14-23(21)27-24)19-15-18-9-5-7-13-22(18)26(16-19)20-10-3-2-4-11-20;/h2-15H,16H2,1H3;1H/q+1;/p-1/b19-17-;