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

Systemtic Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium Openeye Name: 1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium CAS Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium IUPAC Name: 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium Traditional Name: 1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium Formula: C13H9N2O2S+ MolecularWeight: 257.28776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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