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

Systemtic Name: [3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-butyl-methyl-azanium Openeye Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-butyl-methyl-ammonium CAS Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-butyl-methylammonium IUPAC Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-butyl-methylazanium Traditional Name: [3-(2-bromophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-butyl-methyl-ammonium Formula: C22H22BrF3NO4+ MolecularWeight: 501.31359

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C(F)(F)F)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C(F)(F)F)O

InChI

InChI=1S/C22H21BrF3NO4/c1-3-4-11-27(2)12-14-16(28)10-9-13-18(29)20(21(22(24,25)26)31-19(13)14)30-17-8-6-5-7-15(17)23/h5-10,28H,3-4,11-12H2,1-2H3/p+1