1-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-nitro-pyrrole-3,4-dicarboxamide iodide

Systemtic Name: 1-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-nitro-pyrrole-3,4-dicarboxamide iodide Openeye Name: 1-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-nitro-pyrrole-3,4-dicarboxamide iodide CAS Name: 1-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]-2-nitropyrrole-3,4-dicarboxamide iodide IUPAC Name: 1-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-nitropyrrole-3,4-dicarboxamide iodide Traditional Name: 1-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-nitro-pyrrole-3,4-dicarboxamide iodide Formula: C14H16IN5O4 MolecularWeight: 445.21241

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCN2C=C(C(=C2[N+](=O)[O-])C(=O)N)C(=O)N.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CCN2C=C(C(=C2[N+](=O)[O-])C(=O)N)C(=O)N.[I-]

InChI

InChI=1S/C14H15N5O4.HI/c1-17-6-3-2-4-9(17)5-7-18-8-10(12(15)20)11(13(16)21)14(18)19(22)23;/h2-4,6,8H,5,7H2,1H3,(H3-,15,16,20,21);1H