1-(4-bromophenyl)-2-pyridin-1-ium-1-ylsulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-ylsulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-ylsulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-(1-pyridin-1-iumylthio)ethanone IUPAC Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-ylsulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-(pyridin-1-ium-1-ylthio)ethanone Formula: C13H11BrNOS+ MolecularWeight: 309.20154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=[N+](C=C1)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrNOS/c14-12-6-4-11(5-7-12)13(16)10-17-15-8-2-1-3-9-15/h1-9H,10H2/q+1