3-(3-chloranyl-4-fluoranyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indolin-2-one CAS Name: 3-(3-chloro-4-fluorophenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-indolone IUPAC Name: 3-(3-chloro-4-fluorophenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxindole Formula: C24H20ClFN3O+ MolecularWeight: 420.886503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4C(=NC5=CC(=C(C=C5)F)Cl)C3=O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4C(=NC5=CC(=C(C=C5)F)Cl)C3=O

InChI

InChI=1S/C24H19ClFN3O/c25-20-13-18(9-10-21(20)26)27-23-19-7-3-4-8-22(19)29(24(23)30)15-28-12-11-16-5-1-2-6-17(16)14-28/h1-10,13H,11-12,14-15H2/p+1