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

Systemtic Name: 3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1,3-oxazinan-3-ium-3-ylmethyl)chromone Formula: C21H22NO5+ MolecularWeight: 368.40308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCOC4)O

InChI

InChI=1S/C21H21NO5/c1-25-15-5-3-14(4-6-15)18-12-27-21-16(20(18)24)7-8-19(23)17(21)11-22-9-2-10-26-13-22/h3-8,12,23H,2,9-11,13H2,1H3/p+1