2-(4-fluorophenyl)-6-methoxy-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-(4-fluorophenyl)-6-methoxy-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-(4-benzyloxyphenyl)-2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 2-(4-fluorophenyl)-6-methoxy-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-(4-fluorophenyl)-6-methoxy-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(4-benzoxyphenyl)-2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-2-ium Formula: C29H25FNO2+ MolecularWeight: 438.512703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=[N+](CC2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=[N+](CC2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25FNO2/c1-32-27-15-16-28-23(19-27)17-18-31(25-11-9-24(30)10-12-25)29(28)22-7-13-26(14-8-22)33-20-21-5-3-2-4-6-21/h2-16,19H,17-18,20H2,1H3/q+1