3-butyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-butyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-butyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-butyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-butyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-butyl-1,3-benzothiazol-3-ium bromide Formula: C11H14BrNS MolecularWeight: 272.20456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCCC[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C11H14NS.BrH/c1-2-3-8-12-9-13-11-7-5-4-6-10(11)12;/h4-7,9H,2-3,8H2,1H3;1H/q+1;/p-1