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

Systemtic Name: 2-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoindole-1,3-dione Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)isoindoline-1,3-dione CAS Name: 2-[1-(phenylmethyl)-4-piperidin-1-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)isoindole-1,3-dione Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)isoindoline-1,3-quinone Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O2/c23-19-17-8-4-5-9-18(17)20(24)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2/p+1