1-(4-methylpyrazin-4-ium-2-yl)butan-2-one iodide

Systemtic Name: 1-(4-methylpyrazin-4-ium-2-yl)butan-2-one iodide Openeye Name: 1-(4-methylpyrazin-4-ium-2-yl)butan-2-one iodide CAS Name: 1-(4-methyl-2-pyrazin-4-iumyl)-2-butanone iodide IUPAC Name: 1-(4-methylpyrazin-4-ium-2-yl)butan-2-one iodide Traditional Name: 1-(4-methylpyrazin-4-ium-2-yl)butan-2-one iodide Formula: C9H13IN2O MolecularWeight: 292.11679

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=NC=C[N+](=C1)C.[I-]

Isomeric SMILES

CCC(=O)CC1=NC=C[N+](=C1)C.[I-]

InChI

InChI=1S/C9H13N2O.HI/c1-3-9(12)6-8-7-11(2)5-4-10-8;/h4-5,7H,3,6H2,1-2H3;1H/q+1;/p-1