(1-azanylpyridin-1-ium-3-yl)-[4-(1-azanylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]methanone diiodide

Systemtic Name: (1-azanylpyridin-1-ium-3-yl)-[4-(1-azanylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]methanone diiodide Openeye Name: [4-(1-aminopyridin-1-ium-3-carbonyl)piperazin-1-yl]-(1-aminopyridin-1-ium-3-yl)methanone diiodide CAS Name: (1-amino-3-pyridin-1-iumyl)-[4-[(1-amino-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]methanone diiodide IUPAC Name: [4-(1-aminopyridin-1-ium-3-carbonyl)piperazin-1-yl]-(1-aminopyridin-1-ium-3-yl)methanone diiodide Traditional Name: [4-(1-aminopyridin-1-ium-3-carbonyl)piperazino]-(1-aminopyridin-1-ium-3-yl)methanone diiodide Formula: C16H20I2N6O2 MolecularWeight: 582.17794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C[N+](=CC=C2)N)C(=O)C3=C[N+](=CC=C3)N.[I-].[I-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=C[N+](=CC=C2)N)C(=O)C3=C[N+](=CC=C3)N.[I-].[I-]

InChI

InChI=1S/C16H20N6O2.2HI/c17-21-5-1-3-13(11-21)15(23)19-7-9-20(10-8-19)16(24)14-4-2-6-22(18)12-14;;/h1-6,11-12H,7-10,17-18H2;2*1H/q+2;;/p-2