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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]isoquinolin-2-ium CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]isoquinolin-2-ium IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]isoquinolin-2-ium Formula: C16H11ClF3N2+ MolecularWeight: 323.72015

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N2/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/q+1