3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium CAS Name: 3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[9-(1,3-benzothiazol-3-ium-3-yl)nonyl]-1,3-benzothiazol-3-ium Formula: C23H28N2S2+2 MolecularWeight: 396.61182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCC[N+]3=CSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCC[N+]3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H28N2S2/c1(2-4-10-16-24-18-26-22-14-8-6-12-20(22)24)3-5-11-17-25-19-27-23-15-9-7-13-21(23)25/h6-9,12-15,18-19H,1-5,10-11,16-17H2/q+2