2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]ethanamide chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]ethanamide chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[3-(trifluoromethyl)phenyl]acetamide chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide chloride Formula: C18H14ClF3N2O MolecularWeight: 366.76477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC(=C3)C(F)(F)F.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC(=C3)C(F)(F)F.[Cl-]

InChI

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