3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propyl]-1,3-benzothiazol-3-ium diiodide Formula: C19H20I2N2S2 MolecularWeight: 594.31444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

InChI

InChI=1S/C19H20N2S2.2HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;;/h3-6,8-11H,7,12-13H2,1-2H3;2*1H/q+2;;/p-2