3-(4-methoxyphenoxy)-8-[(2-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one bromide

Systemtic Name: 3-(4-methoxyphenoxy)-8-[(2-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one bromide Openeye Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(2-methyl-1-piperidyl)methyl]-2-(trifluoromethyl)chromen-4-one bromide CAS Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(2-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one bromide IUPAC Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one bromide Traditional Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(2-methylpiperidino)methyl]-2-(trifluoromethyl)chromone bromide Formula: C24H24BrF3NO5- MolecularWeight: 543.35027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)O.[Br-]

Isomeric SMILES

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)O.[Br-]

InChI

InChI=1S/C24H24F3NO5.BrH/c1-14-5-3-4-12-28(14)13-18-19(29)11-10-17-20(30)22(23(24(25,26)27)33-21(17)18)32-16-8-6-15(31-2)7-9-16;/h6-11,14,29H,3-5,12-13H2,1-2H3;1H/p-1