1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide IUPAC Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Formula: C15H16BrNOS MolecularWeight: 338.26264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H16NOS.BrH/c17-14(12-6-2-1-3-7-12)10-16-11-18-15-9-5-4-8-13(15)16;/h1-3,6-7,11H,4-5,8-10H2;1H/q+1;/p-1