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

Systemtic Name: 3-(4-methoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H21F3NO4+ MolecularWeight: 420.40165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO4/c1-29-14-6-4-13(5-7-14)18-19(28)15-8-9-17(27)16(12-26-10-2-3-11-26)20(15)30-21(18)22(23,24)25/h4-9,27H,2-3,10-12H2,1H3/p+1