4-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]-4-oxidanylidene-butanoic acid iodide

Systemtic Name: 4-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]-4-oxidanylidene-butanoic acid iodide Openeye Name: 4-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]-4-oxo-butanoic acid iodide CAS Name: 4-[2-(1-methyl-2-pyridin-1-iumyl)ethylamino]-4-oxobutanoic acid iodide IUPAC Name: 4-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]-4-oxobutanoic acid iodide Traditional Name: 4-keto-4-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]butyric acid iodide Formula: C12H17IN2O3 MolecularWeight: 364.17945

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCNC(=O)CCC(=O)O.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CCNC(=O)CCC(=O)O.[I-]

InChI

InChI=1S/C12H16N2O3.HI/c1-14-9-3-2-4-10(14)7-8-13-11(15)5-6-12(16)17;/h2-4,9H,5-8H2,1H3,(H-,13,15,16,17);1H