2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindole-1,3-dione bromide Openeye Name: 2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindoline-1,3-dione bromide CAS Name: 2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindole-1,3-dione bromide IUPAC Name: 2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindole-1,3-dione bromide Traditional Name: 2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]isoindoline-1,3-quinone bromide Formula: C19H17BrN2O2S MolecularWeight: 417.31948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C19H17N2O2S.BrH/c1-13-20(16-9-4-5-10-17(16)24-13)11-6-12-21-18(22)14-7-2-3-8-15(14)19(21)23;/h2-5,7-10H,6,11-12H2,1H3;1H/q+1;/p-1