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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-acetamide bromide Formula: C10H11BrN2OS MolecularWeight: 287.17614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2OS.BrH/c1-11-10(13)6-12-7-14-9-5-3-2-4-8(9)12;/h2-5,7H,6H2,1H3;1H