2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C24H23FNO2+ MolecularWeight: 376.443323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C24H23FNO2/c25-22-12-20(15-26-11-10-17-6-4-5-9-19(17)14-26)23-21(13-22)16-27-24(28-23)18-7-2-1-3-8-18/h1-3,7-8,10-14,24H,4-6,9,15-16H2/q+1/t24-/m0/s1