2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(2-chloro-6-fluoro-benzyl)isoquinolin-2-ium Formula: C16H12ClFN+ MolecularWeight: 272.724583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H12ClFN/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19/h1-10H,11H2/q+1