2-[(3-fluoranyl-4-methoxy-phenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)isoquinolin-2-ium Formula: C17H15FNO+ MolecularWeight: 268.305503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2)F

InChI

InChI=1S/C17H15FNO/c1-20-17-7-6-13(10-16(17)18)11-19-9-8-14-4-2-3-5-15(14)12-19/h2-10,12H,11H2,1H3/q+1