2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-yl]ethanamide

Systemtic Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-yl]ethanamide Openeye Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-2-methyl-1-oxo-4-phenyl-isoquinolin-2-ium-3-yl]acetamide CAS Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolin-2-iumyl]acetamide IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-2-ium-3-yl]acetamide Traditional Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-1-keto-2-methyl-4-phenyl-isoquinolin-2-ium-3-yl]acetamide Formula: C26H18ClF6N2O2+ MolecularWeight: 539.876739

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC(=O)N)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[N+]1(C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC(=O)N)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H17ClF6N2O2/c1-35(18-10-15(25(28,29)30)9-16(11-18)26(31,32)33)21(13-22(34)36)23(14-5-3-2-4-6-14)20-12-17(27)7-8-19(20)24(35)37/h2-12H,13H2,1H3,(H-,34,36)/p+1