1-(5-acetamido-2,3-dihydro-1H-inden-1-yl)-1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-1-ium-3-carboxamide

Systemtic Name: 1-(5-acetamido-2,3-dihydro-1H-inden-1-yl)-1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-1-ium-3-carboxamide Openeye Name: 1-(5-acetamidoindan-1-yl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinolin-1-ium-3-carboxamide CAS Name: 1-(5-acetamido-2,3-dihydro-1H-inden-1-yl)-1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolin-1-iumcarboxamide IUPAC Name: 1-(5-acetamido-2,3-dihydro-1H-inden-1-yl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinolin-1-ium-3-carboxamide Traditional Name: 1-(5-acetamidoindan-1-yl)-1-ethyl-4-keto-6-(trifluoromethyl)quinolin-1-ium-3-carboxamide Formula: C24H23F3N3O3+ MolecularWeight: 458.45293

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N)C3CCC4=C3C=CC(=C4)NC(=O)C

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N)C3CCC4=C3C=CC(=C4)NC(=O)C

InChI

InChI=1S/C24H22F3N3O3/c1-3-30(20-8-4-14-10-16(29-13(2)31)6-7-17(14)20)12-19(23(28)33)22(32)18-11-15(24(25,26)27)5-9-21(18)30/h5-7,9-12,20H,3-4,8H2,1-2H3,(H2-,28,29,31,33)/p+1