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

Systemtic Name: 2-methyl-3-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium dibromide Openeye Name: 2-methyl-3-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium dibromide CAS Name: 2-methyl-3-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium dibromide IUPAC Name: 2-methyl-3-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium dibromide Traditional Name: 2-methyl-3-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium dibromide Formula: C19H20Br2N2S2 MolecularWeight: 500.3135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCC[N+]3=C(SC4=CC=CC=C43)C.[Br-].[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCC[N+]3=C(SC4=CC=CC=C43)C.[Br-].[Br-]

InChI

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