2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium bromide

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium bromide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]isoquinolin-2-ium bromide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]isoquinolin-2-ium bromide IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium bromide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]isoquinolin-2-ium bromide Formula: C16H11BrClF3N2 MolecularWeight: 403.62415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=C(C=N3)C(F)(F)F)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=C(C=N3)C(F)(F)F)Cl.[Br-]

InChI

InChI=1S/C16H11ClF3N2.BrH/c17-14-7-13(16(18,19)20)8-21-15(14)10-22-6-5-11-3-1-2-4-12(11)9-22;/h1-9H,10H2;1H/q+1;/p-1