2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 2-(2-fluorobenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C18H19ClFNO2 MolecularWeight: 335.800363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](CCC2=C1)CC3=CC=CC=C3F)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C=[N+](CCC2=C1)CC3=CC=CC=C3F)OC.[Cl-]

InChI

InChI=1S/C18H19FNO2.ClH/c1-21-17-9-13-7-8-20(12-15(13)10-18(17)22-2)11-14-5-3-4-6-16(14)19;/h3-6,9-10,12H,7-8,11H2,1-2H3;1H/q+1;/p-1