2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N2O2/c23-19-17-6-2-3-7-18(17)20(24)22(19)16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2/p+1