2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]ethanamide bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]ethanamide bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[2-(trifluoromethyl)phenyl]acetamide bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide bromide Formula: C18H14BrF3N2O MolecularWeight: 411.21577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC=C3C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC=C3C(F)(F)F.[Br-]

InChI

InChI=1S/C18H13F3N2O.BrH/c19-18(20,21)15-7-3-4-8-16(15)22-17(24)12-23-10-9-13-5-1-2-6-14(13)11-23;/h1-11H,12H2;1H