N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C18H13Cl2F3N2O MolecularWeight: 401.20983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClF3N2O.ClH/c19-15-6-5-14(18(20,21)22)9-16(15)23-17(25)11-24-8-7-12-3-1-2-4-13(12)10-24;/h1-10H,11H2;1H