2-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H20ClN2O3+ MolecularWeight: 371.8374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19ClN2O3/c21-15-7-5-14(6-8-15)20(26)9-11-22(12-10-20)13-23-18(24)16-3-1-2-4-17(16)19(23)25/h1-8,26H,9-13H2/p+1