3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium diiodide Formula: C20H22I2N2S2 MolecularWeight: 608.34102

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCCCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCCCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

InChI

InChI=1S/C20H22N2S2.2HI/c1-21-15-9-3-5-11-17(15)23-19(21)13-7-8-14-20-22(2)16-10-4-6-12-18(16)24-20;;/h3-6,9-12H,7-8,13-14H2,1-2H3;2*1H/q+2;;/p-2