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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Openeye Name: 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide CAS Name: 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide IUPAC Name: 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Traditional Name: 1-(4-fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Formula: C18H21BrFNO2 MolecularWeight: 382.267243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=C(C=C3)F)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=C(C=C3)F)OC.[Br-]

InChI

InChI=1S/C18H20FNO2.BrH/c1-21-17-10-13-7-8-20-16(15(13)11-18(17)22-2)9-12-3-5-14(19)6-4-12;/h3-6,10-11,16,20H,7-9H2,1-2H3;1H