2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]isoindole-1,3-dione iodide

Systemtic Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]isoindole-1,3-dione iodide Openeye Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]isoindoline-1,3-dione iodide CAS Name: 2-[3-(4-methyl-4-morpholin-4-iumyl)propyl]isoindole-1,3-dione iodide IUPAC Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]isoindole-1,3-dione iodide Traditional Name: 2-[3-(4-methylmorpholin-4-ium-4-yl)propyl]isoindoline-1,3-quinone iodide Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C16H21N2O3.HI/c1-18(9-11-21-12-10-18)8-4-7-17-15(19)13-5-2-3-6-14(13)16(17)20;/h2-3,5-6H,4,7-12H2,1H3;1H/q+1;/p-1