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

Systemtic Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium diiodide Formula: C18H18I2N2S2 MolecularWeight: 580.28786

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

InChI

InChI=1S/C18H18N2S2.2HI/c1-19-13-7-3-5-9-15(13)21-17(19)11-12-18-20(2)14-8-4-6-10-16(14)22-18;;/h3-10H,11-12H2,1-2H3;2*1H/q+2;;/p-2