methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate iodide

Systemtic Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate iodide Openeye Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate iodide CAS Name: 3-(4-methyl-2-pyrazin-4-iumyl)propanoic acid methyl ester iodide IUPAC Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate iodide Traditional Name: 3-(4-methylpyrazin-4-ium-2-yl)propionic acid methyl ester iodide Formula: C9H13IN2O2 MolecularWeight: 308.11619

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=NC=C1)CCC(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC(=NC=C1)CCC(=O)OC.[I-]

InChI

InChI=1S/C9H13N2O2.HI/c1-11-6-5-10-8(7-11)3-4-9(12)13-2;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1