1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 1-(2-fluorobenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Formula: C18H19BrFNO2 MolecularWeight: 380.251363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC=CC=C3F)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC=CC=C3F)OC.[Br-]

InChI

InChI=1S/C18H18FNO2.BrH/c1-21-17-10-12-7-8-20-16(14(12)11-18(17)22-2)9-13-5-3-4-6-15(13)19;/h3-6,10-11H,7-9H2,1-2H3;1H