3-(3,4-dimethylphenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F)C

InChI

InChI=1S/C24H24F3NO4/c1-14-6-7-16(12-15(14)2)31-22-20(30)17-8-9-19(29)18(13-28-10-4-3-5-11-28)21(17)32-23(22)24(25,26)27/h6-9,12,29H,3-5,10-11,13H2,1-2H3/p+1