butyl-[[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium

Systemtic Name: butyl-[[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium Openeye Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C22H22ClF3NO3+ MolecularWeight: 440.86319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H21ClF3NO3/c1-3-4-11-27(2)12-16-17(28)10-9-15-19(29)18(13-5-7-14(23)8-6-13)21(22(24,25)26)30-20(15)16/h5-10,28H,3-4,11-12H2,1-2H3/p+1