2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide

Systemtic Name: 2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide Openeye Name: 2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide CAS Name: 2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide IUPAC Name: 2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide Traditional Name: 2-methyl-3-[5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentyl]-1,3-benzothiazol-3-ium dibromide Formula: C21H24Br2N2S2 MolecularWeight: 528.36666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2S2.2BrH/c1-16-22(18-10-4-6-12-20(18)24-16)14-8-3-9-15-23-17(2)25-21-13-7-5-11-19(21)23;;/h4-7,10-13H,3,8-9,14-15H2,1-2H3;2*1H/q+2;;/p-2