(2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-heptyl-2-[(3-heptyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole Formula: C29H39N2S2+ MolecularWeight: 479.76336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)CCCCCCC

Isomeric SMILES

CCCCCCCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4S3)CCCCCCC

InChI

InChI=1S/C29H39N2S2/c1-3-5-7-9-15-21-30-24-17-11-13-19-26(24)32-28(30)23-29-31(22-16-10-8-6-4-2)25-18-12-14-20-27(25)33-29/h11-14,17-20,23H,3-10,15-16,21-22H2,1-2H3/q+1