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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO3/c1-4-24-18-10-13-8-9-22-20(15(13)12-19(18)25-5-2)14-6-7-16(21)17(11-14)23-3/h6-7,10-12,20,22H,4-5,8-9H2,1-3H3/p+1/t20-/m0/s1