3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide

Systemtic Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide Openeye Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide CAS Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide IUPAC Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide Traditional Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide Formula: C24H30Br2N2S2 MolecularWeight: 570.4464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCCC[N+]3=CSC4=CC=CC=C43.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCCC[N+]3=CSC4=CC=CC=C43.[Br-].[Br-]

InChI

InChI=1S/C24H30N2S2.2BrH/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26;;/h7-10,13-16,19-20H,1-6,11-12,17-18H2;2*1H/q+2;;/p-2