(1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol iodide

Systemtic Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol iodide Openeye Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolylidene)propan-2-ol iodide CAS Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolinylidene)-2-propanol iodide IUPAC Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenylquinolin-4-ylidene)propan-2-ol iodide Traditional Name: (1E)-1-(1,3-benzothiazol-3-ium-3-yl)-1-(1-phenyl-4-quinolylidene)propan-2-ol iodide Formula: C25H21IN2OS MolecularWeight: 524.41651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C1C=CN(C2=CC=CC=C12)C3=CC=CC=C3)[N+]4=CSC5=CC=CC=C54)O.[I-]

Isomeric SMILES

CC(/C(=C\1/C=CN(C2=CC=CC=C12)C3=CC=CC=C3)/[N+]4=CSC5=CC=CC=C54)O.[I-]

InChI

InChI=1S/C25H21N2OS.HI/c1-18(28)25(27-17-29-24-14-8-7-13-23(24)27)21-15-16-26(19-9-3-2-4-10-19)22-12-6-5-11-20(21)22;/h2-18,28H,1H3;1H/q+1;/p-1/b25-21+;