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

Systemtic Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindole-1,3-dione iodide Openeye Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindoline-1,3-dione iodide CAS Name: 2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]isoindole-1,3-dione iodide IUPAC Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindole-1,3-dione iodide Traditional Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]isoindoline-1,3-quinone iodide Formula: C17H23IN2O2 MolecularWeight: 414.28119

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C17H23N2O2.HI/c1-19(11-5-2-6-12-19)13-7-10-18-16(20)14-8-3-4-9-15(14)17(18)21;/h3-4,8-9H,2,5-7,10-13H2,1H3;1H/q+1;/p-1