3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoic acid bromide

Systemtic Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoic acid bromide Openeye Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoic acid bromide CAS Name: 3-(2-methyl-3-benzo[g][1,3]benzothiazol-3-iumyl)propanoic acid bromide IUPAC Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoic acid bromide Traditional Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propionic acid bromide Formula: C15H14BrNO2S MolecularWeight: 352.24616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCC(=O)O.[Br-]

InChI

InChI=1S/C15H13NO2S.BrH/c1-10-16(9-8-14(17)18)13-7-6-11-4-2-3-5-12(11)15(13)19-10;/h2-7H,8-9H2,1H3;1H