3-methyl-4-oxidanidyl-5-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide

Systemtic Name: 3-methyl-4-oxidanidyl-5-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Openeye Name: 3-methyl-4-oxido-5-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide CAS Name: 3-methyl-4-oxido-5-(1-pyridin-1-iumylmethyl)pyrazin-1-ium 1-oxide iodide IUPAC Name: 3-methyl-4-oxido-5-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Traditional Name: 3-methyl-4-oxido-5-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide Formula: C11H12IN3O2 MolecularWeight: 345.13635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=O)C=C(N1[O-])C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=C[N+](=O)C=C(N1[O-])C[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C11H12N3O2.HI/c1-10-7-13(15)9-11(14(10)16)8-12-5-3-2-4-6-12;/h2-7,9H,8H2,1H3;1H/q+1;/p-1