(1S)-1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H18BrFNO2+ MolecularWeight: 367.232723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=CC(=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(C=CC(=C3)Br)F)OC

InChI

InChI=1S/C17H17BrFNO2/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)19/h3-4,7-9,17,20H,5-6H2,1-2H3/p+1/t17-/m0/s1