2-[[4-(trifluoromethyloxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[4-(trifluoromethyloxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[4-(trifluoromethoxy)benzyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H17F3NO+ MolecularWeight: 308.31819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3NO/c18-17(19,20)22-16-7-5-13(6-8-16)11-21-10-9-14-3-1-2-4-15(14)12-21/h1-8H,9-12H2/p+1