7-oxidanyl-3-(2-propan-2-ylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7-oxidanyl-3-(2-propan-2-ylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-isopropylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-propan-2-ylphenoxy)-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-propan-2-ylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-isopropylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C24H25F3NO4+ MolecularWeight: 448.45481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO4/c1-14(2)15-7-3-4-8-19(15)31-22-20(30)16-9-10-18(29)17(13-28-11-5-6-12-28)21(16)32-23(22)24(25,26)27/h3-4,7-10,14,29H,5-6,11-13H2,1-2H3/p+1