3-(5-bromanylpentyl)-2-methyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-(5-bromanylpentyl)-2-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium bromide Formula: C13H17Br2NS MolecularWeight: 379.15378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCCBr.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCCBr.[Br-]

InChI

InChI=1S/C13H17BrNS.BrH/c1-11-15(10-6-2-5-9-14)12-7-3-4-8-13(12)16-11;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H/q+1;/p-1