N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloranyl-1-oxidanylidene-7H-isoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloranyl-1-oxidanylidene-7H-isoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloro-1-keto-7H-isoquinolin-2-ium-2-yl)acetamide Formula: C19H12ClF6N2O2+ MolecularWeight: 449.754199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=[N+](C(=O)C2=CC1Cl)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=CC=[N+](C(=O)C2=CC1Cl)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H11ClF6N2O2/c20-13-2-1-10-3-4-28(17(30)15(10)8-13)9-16(29)27-14-6-11(18(21,22)23)5-12(7-14)19(24,25)26/h1-8,13H,9H2/p+1