3-[[3-(1,3-benzothiazol-3-ium-3-ylmethyl)phenyl]methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[[3-(1,3-benzothiazol-3-ium-3-ylmethyl)phenyl]methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[[3-(1,3-benzothiazol-3-ium-3-ylmethyl)phenyl]methyl]-1,3-benzothiazol-3-ium CAS Name: 3-[[3-(1,3-benzothiazol-3-ium-3-ylmethyl)phenyl]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[[3-(1,3-benzothiazol-3-ium-3-ylmethyl)phenyl]methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[3-(1,3-benzothiazol-3-ium-3-ylmethyl)benzyl]-1,3-benzothiazol-3-ium Formula: C22H18N2S2+2 MolecularWeight: 374.52172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC3=CC(=CC=C3)C[N+]4=CSC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC3=CC(=CC=C3)C[N+]4=CSC5=CC=CC=C54

InChI

InChI=1S/C22H18N2S2/c1-3-10-21-19(8-1)23(15-25-21)13-17-6-5-7-18(12-17)14-24-16-26-22-11-4-2-9-20(22)24/h1-12,15-16H,13-14H2/q+2