2-[4-(1,3-benzothiazol-2-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C20H15BrN2OS MolecularWeight: 411.3149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4S3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4S3.[Br-]

InChI

InChI=1S/C20H15N2OS.BrH/c23-18(15-6-2-1-3-7-15)14-22-12-10-16(11-13-22)20-21-17-8-4-5-9-19(17)24-20;/h1-13H,14H2;1H/q+1;/p-1