2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C16H14BrNOS MolecularWeight: 348.25746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H14NOS.BrH/c1-12-17(14-9-5-6-10-16(14)19-12)11-15(18)13-7-3-2-4-8-13;/h2-10H,11H2,1H3;1H/q+1;/p-1