2-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H21FN3O+ MolecularWeight: 338.398643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC4=CC=CC=C4C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C20H20FN3O/c1-25-19-7-6-15(10-18(19)21)20-17(11-22-23-20)13-24-9-8-14-4-2-3-5-16(14)12-24/h2-7,10-11H,8-9,12-13H2,1H3,(H,22,23)/p+1