6-ethyl-3-(4-fluorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-3-(4-fluorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C24H24F4NO3+ MolecularWeight: 450.445873

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)F)C[NH+]4CCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)F)C[NH+]4CCCCC4)O

InChI

InChI=1S/C24H23F4NO3/c1-2-14-12-17-21(31)19(15-6-8-16(25)9-7-15)23(24(26,27)28)32-22(17)18(20(14)30)13-29-10-4-3-5-11-29/h6-9,12,30H,2-5,10-11,13H2,1H3/p+1