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

Systemtic Name: 3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H21F3NO5+ MolecularWeight: 436.40105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO5/c1-29-17-6-3-2-5-13(17)18-19(28)14-7-8-16(27)15(11-26-9-4-10-30-12-26)20(14)31-21(18)22(23,24)25/h2-3,5-8,27H,4,9-12H2,1H3/p+1