2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-bromo-4-fluoro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-bromo-4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-bromo-4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-bromo-4-fluoro-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H20BrFNO2+ MolecularWeight: 381.259303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFNO2/c1-22-17-8-13-5-6-21(11-14(13)9-18(17)23-2)10-12-3-4-16(20)15(19)7-12/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1