3-(3-methoxyphenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(3-methoxyphenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO5+ MolecularWeight: 382.42966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

InChI

InChI=1S/C22H23NO5/c1-26-15-6-5-7-16(12-15)28-20-14-27-22-17(21(20)25)8-9-19(24)18(22)13-23-10-3-2-4-11-23/h5-9,12,14,24H,2-4,10-11,13H2,1H3/p+1