4-oxidanidyl-2,5-bis(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide

Systemtic Name: 4-oxidanidyl-2,5-bis(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Openeye Name: 4-oxido-2,5-bis(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide CAS Name: 4-oxido-2,5-bis(1-pyridin-1-iumylmethyl)pyrazin-1-ium 1-oxide iodide IUPAC Name: 4-oxido-2,5-bis(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Traditional Name: 4-oxido-2,5-bis(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Formula: C16H16IN4O2+ MolecularWeight: 423.22831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CN(C(=C[N+]2=O)C[N+]3=CC=CC=C3)[O-].[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CN(C(=C[N+]2=O)C[N+]3=CC=CC=C3)[O-].[I-]

InChI

InChI=1S/C16H16N4O2.HI/c21-19-14-16(12-18-9-5-2-6-10-18)20(22)13-15(19)11-17-7-3-1-4-8-17;/h1-10,13-14H,11-12H2;1H/q+2;/p-1