1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium diiodide

Systemtic Name: 1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium diiodide Openeye Name: 1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium diiodide CAS Name: 1-methyl-4-(1-pyridin-1-iumylmethyl)pyridin-1-ium diiodide IUPAC Name: 1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium diiodide Traditional Name: 1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium diiodide Formula: C12H14I2N2 MolecularWeight: 440.0619

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C[N+]2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C[N+]2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C12H14N2.2HI/c1-13-9-5-12(6-10-13)11-14-7-3-2-4-8-14;;/h2-10H,11H2,1H3;2*1H/q+2;;/p-2