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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(1,3-benzothiazol-2-yl)-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C14H11BrN2OS MolecularWeight: 335.21894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=NC3=CC=CC=C3S2.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=NC3=CC=CC=C3S2.[Br-]

InChI

InChI=1S/C14H11N2OS.BrH/c17-12(10-16-8-4-1-5-9-16)14-15-11-6-2-3-7-13(11)18-14;/h1-9H,10H2;1H/q+1;/p-1