2-(4-fluorophenyl)-5-oxidanyl-2-propan-2-yl-4H-isoquinolin-2-ium-1,3-dione

Systemtic Name: 2-(4-fluorophenyl)-5-oxidanyl-2-propan-2-yl-4H-isoquinolin-2-ium-1,3-dione Openeye Name: 2-(4-fluorophenyl)-5-hydroxy-2-isopropyl-4H-isoquinolin-2-ium-1,3-dione CAS Name: 2-(4-fluorophenyl)-5-hydroxy-2-propan-2-yl-4H-isoquinolin-2-ium-1,3-dione IUPAC Name: 2-(4-fluorophenyl)-5-hydroxy-2-propan-2-yl-4H-isoquinolin-2-ium-1,3-dione Traditional Name: 2-(4-fluorophenyl)-5-hydroxy-2-isopropyl-4H-isoquinolin-2-ium-1,3-quinone Formula: C18H17FNO3+ MolecularWeight: 314.330883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C(=O)CC2=C(C1=O)C=CC=C2O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[N+]1(C(=O)CC2=C(C1=O)C=CC=C2O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FNO3/c1-11(2)20(13-8-6-12(19)7-9-13)17(22)10-15-14(18(20)23)4-3-5-16(15)21/h3-9,11H,10H2,1-2H3/p+1