2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]isoindole-1,3-dione iodide

Systemtic Name: 2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]isoindole-1,3-dione iodide Openeye Name: 2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]isoindoline-1,3-dione iodide CAS Name: 2-[4-(1-methyl-1-piperidin-1-iumyl)butyl]isoindole-1,3-dione iodide IUPAC Name: 2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]isoindole-1,3-dione iodide Traditional Name: 2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]isoindoline-1,3-quinone iodide Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCN2C(=O)C3=CC=CC=C3C2=O.[I-]

InChI

InChI=1S/C18H25N2O2.HI/c1-20(12-6-2-7-13-20)14-8-5-11-19-17(21)15-9-3-4-10-16(15)18(19)22;/h3-4,9-10H,2,5-8,11-14H2,1H3;1H/q+1;/p-1