2-[6-aminocarbonyl-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[6-aminocarbonyl-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[6-carbamoyl-3-hydroxy-3-(2-naphthyl)-2-oxo-4-(trifluoromethyl)indolin-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[6-carbamoyl-3-hydroxy-3-(2-naphthalenyl)-2-oxo-4-(trifluoromethyl)-1-indolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[6-carbamoyl-3-hydroxy-3-naphthalen-2-yl-2-oxo-4-(trifluoromethyl)indol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[6-carbamoyl-3-hydroxy-2-keto-3-(2-naphthyl)-4-(trifluoromethyl)indolin-1-yl]ethyl-diethyl-ammonium chloride Formula: C26H27ClF3N3O3 MolecularWeight: 521.95909

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C(=O)N.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C(=O)N.[Cl-]

InChI

InChI=1S/C26H26F3N3O3.ClH/c1-3-31(4-2)11-12-32-21-15-18(23(30)33)14-20(26(27,28)29)22(21)25(35,24(32)34)19-10-9-16-7-5-6-8-17(16)13-19;/h5-10,13-15,35H,3-4,11-12H2,1-2H3,(H2,30,33);1H