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

Systemtic Name: 2-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H21FN3+ MolecularWeight: 322.399243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20FN3/c1-23-12-17(20(22-23)18-8-4-5-9-19(18)21)14-24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13-14H2,1H3/p+1