2-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-nitro-isoindole-1,3-dione iodide

Systemtic Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-nitro-isoindole-1,3-dione iodide Openeye Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-nitro-isoindoline-1,3-dione iodide CAS Name: 2-[(1-methyl-1-piperidin-1-iumyl)methyl]-5-nitroisoindole-1,3-dione iodide IUPAC Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-nitroisoindole-1,3-dione iodide Traditional Name: 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-nitro-isoindoline-1,3-quinone iodide Formula: C15H18IN3O4 MolecularWeight: 431.22559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C15H18N3O4.HI/c1-18(7-3-2-4-8-18)10-16-14(19)12-6-5-11(17(21)22)9-13(12)15(16)20;/h5-6,9H,2-4,7-8,10H2,1H3;1H/q+1;/p-1