9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]carbazole-3-carbaldehyde iodide

Systemtic Name: 9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]carbazole-3-carbaldehyde iodide Openeye Name: 9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]carbazole-3-carbaldehyde iodide CAS Name: 9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-carbazolecarboxaldehyde iodide IUPAC Name: 9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]carbazole-3-carbaldehyde iodide Traditional Name: 9-(3-azidopropyl)-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]carbazole-3-carbaldehyde iodide Formula: C26H22IN5OS MolecularWeight: 579.45525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C=O)CCCN=[N+]=[N-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C=O)CCCN=[N+]=[N-].[I-]

InChI

InChI=1S/C26H22N5OS.HI/c1-30-24-5-2-3-6-25(24)33-26(30)12-9-18-7-10-22-20(15-18)21-16-19(17-32)8-11-23(21)31(22)14-4-13-28-29-27;/h2-3,5-12,15-17H,4,13-14H2,1H3;1H/q+1;/p-1