(1-oxidanidylpyridin-1-ium-2-yl) carbamimidothioate bromide

Systemtic Name: (1-oxidanidylpyridin-1-ium-2-yl) carbamimidothioate bromide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)isothiourea bromide CAS Name: carbamimidothioic acid (1-oxido-2-pyridin-1-iumyl) ester bromide IUPAC Name: (1-oxidopyridin-1-ium-2-yl) carbamimidothioate bromide Traditional Name: 2-(1-oxidopyridin-1-ium-2-yl)isothiourea bromide Formula: C6H7BrN3OS- MolecularWeight: 249.10828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC(=N)N)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SC(=N)N)[O-].[Br-]

InChI

InChI=1S/C6H7N3OS.BrH/c7-6(8)11-5-3-1-2-4-9(5)10;/h1-4H,(H3,7,8);1H/p-1