3-(4-tert-butylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-tert-butylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C27H31F3NO4+ MolecularWeight: 490.53455

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(C)(C)C)C(F)(F)F)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(C)(C)C)C(F)(F)F)O

InChI

InChI=1S/C27H30F3NO4/c1-16-11-13-31(14-12-16)15-20-21(32)10-9-19-22(33)24(25(27(28,29)30)35-23(19)20)34-18-7-5-17(6-8-18)26(2,3)4/h5-10,16,32H,11-15H2,1-4H3/p+1