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

Systemtic Name: 3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-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=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO5/c1-29-14-5-3-13(4-6-14)18-19(28)15-7-8-17(27)16(11-26-9-2-10-30-12-26)20(15)31-21(18)22(23,24)25/h3-8,27H,2,9-12H2,1H3/p+1