3-(2-ethoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@@H]4C)O

InChI

InChI=1S/C24H27NO5/c1-3-28-20-9-4-5-10-21(20)30-22-15-29-24-17(23(22)27)11-12-19(26)18(24)14-25-13-7-6-8-16(25)2/h4-5,9-12,15-16,26H,3,6-8,13-14H2,1-2H3/p+1/t16-/m0/s1