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

Systemtic Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H19FN3+ MolecularWeight: 308.372663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN3/c20-18-7-5-15(6-8-18)19-17(11-21-22-19)13-23-10-9-14-3-1-2-4-16(14)12-23/h1-8,11H,9-10,12-13H2,(H,21,22)/p+1