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

Systemtic Name: 3-(4-ethylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-ethylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-ethylphenoxy)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-ethylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-ethylphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C23H23F3NO4+ MolecularWeight: 434.42823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C23H22F3NO4/c1-2-14-5-7-15(8-6-14)30-21-19(29)16-9-10-18(28)17(13-27-11-3-4-12-27)20(16)31-22(21)23(24,25)26/h5-10,28H,2-4,11-13H2,1H3/p+1