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

Systemtic Name: (1S)-6,7-diethoxy-1-(2-fluoranyl-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(2-fluoro-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(2-fluoro-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H25FNO3+ MolecularWeight: 346.415803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=C(C=C3)OC)F)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO3/c1-4-24-18-10-13-8-9-22-20(16(13)12-19(18)25-5-2)15-7-6-14(23-3)11-17(15)21/h6-7,10-12,20,22H,4-5,8-9H2,1-3H3/p+1/t20-/m1/s1