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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C23H22ClF3NO4+ MolecularWeight: 468.87329

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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+]4CCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C23H21ClF3NO4/c1-12-9-14(10-13(2)18(12)24)31-21-19(30)15-5-6-17(29)16(11-28-7-3-4-8-28)20(15)32-22(21)23(25,26)27/h5-6,9-10,29H,3-4,7-8,11H2,1-2H3/p+1