5-fluoranyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indole-2,3-dione

Systemtic Name: 5-fluoranyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indole-2,3-dione Openeye Name: 5-fluoro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indoline-2,3-dione CAS Name: 5-fluoro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indole-2,3-dione IUPAC Name: 5-fluoro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indole-2,3-dione Traditional Name: 5-fluoro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isatin Formula: C18H16FN2O2+ MolecularWeight: 311.330243

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

InChI

InChI=1S/C18H15FN2O2/c19-14-5-6-16-15(9-14)17(22)18(23)21(16)11-20-8-7-12-3-1-2-4-13(12)10-20/h1-6,9H,7-8,10-11H2/p+1