2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-ethanamide bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-acetamide bromide Formula: C11H13BrN2OS MolecularWeight: 301.20272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CN(C)C(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C11H13N2OS.BrH/c1-12(2)11(14)7-13-8-15-10-6-4-3-5-9(10)13;/h3-6,8H,7H2,1-2H3;1H/q+1;/p-1