(1S)-6,7-diethoxy-1-(4-fluoranyl-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(4-fluoranyl-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-fluoro-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-fluoro-3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-fluoro-3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(4-fluoro-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C25H27FNO3+ MolecularWeight: 408.485183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H26FNO3/c1-3-28-23-14-17-12-13-27-25(20(17)16-24(23)29-4-2)18-10-11-21(26)22(15-18)30-19-8-6-5-7-9-19/h5-11,14-16,25,27H,3-4,12-13H2,1-2H3/p+1/t25-/m0/s1