2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindole-1,3-dione iodide

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindole-1,3-dione iodide Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-dione iodide CAS Name: 2-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]isoindole-1,3-dione iodide IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindole-1,3-dione iodide Traditional Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone iodide Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCN2C(=O)C3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCN2C(=O)C3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C16H21N2O2.HI/c1-18(10-5-2-6-11-18)12-9-17-15(19)13-7-3-4-8-14(13)16(17)20;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H/q+1;/p-1