1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium bromide

Systemtic Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium bromide Openeye Name: 1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium bromide CAS Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium bromide IUPAC Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium bromide Traditional Name: 1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium bromide Formula: C13H9BrN2O2S MolecularWeight: 337.19176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H9N2O2S.BrH/c16-15(17)13-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)18-13;/h1-9H;1H/q+1;/p-1