N-(2,4,6-trinitrophenyl)pyridin-1-ium-1-amine iodide

Systemtic Name: N-(2,4,6-trinitrophenyl)pyridin-1-ium-1-amine iodide Openeye Name: N-(2,4,6-trinitrophenyl)pyridin-1-ium-1-amine iodide CAS Name: N-(2,4,6-trinitrophenyl)-1-pyridin-1-iumamine iodide IUPAC Name: N-(2,4,6-trinitrophenyl)pyridin-1-ium-1-amine iodide Traditional Name: picryl(pyridin-1-ium-1-yl)amine iodide Formula: C11H8IN5O6 MolecularWeight: 433.11559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[I-]

InChI

InChI=1S/C11H8N5O6.HI/c17-14(18)8-6-9(15(19)20)11(10(7-8)16(21)22)12-13-4-2-1-3-5-13;/h1-7,12H;1H/q+1;/p-1