4-nitro-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoindole-1,3-dione Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[1-(phenylmethyl)-4-piperidin-1-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)-4-nitro-isoindoline-1,3-quinone Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4/c24-19-16-7-4-8-17(23(26)27)18(16)20(25)22(19)15-9-11-21(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2/p+1