3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C24H24ClF3NO4+ MolecularWeight: 482.89987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H23ClF3NO4/c1-13-10-15(11-14(2)19(13)25)32-22-20(31)16-6-7-18(30)17(12-29-8-4-3-5-9-29)21(16)33-23(22)24(26,27)28/h6-7,10-11,30H,3-5,8-9,12H2,1-2H3/p+1