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

Systemtic Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione iodide Openeye Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-dione iodide CAS Name: 2-[(1-methyl-1-piperidin-1-iumyl)methyl]isoindole-1,3-dione iodide IUPAC Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione iodide Traditional Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-quinone iodide Formula: C15H19IN2O2 MolecularWeight: 386.22803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C15H19N2O2.HI/c1-17(9-5-2-6-10-17)11-16-14(18)12-7-3-4-8-13(12)15(16)19;/h3-4,7-8H,2,5-6,9-11H2,1H3;1H/q+1;/p-1