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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC[C@@H](C4)C)O

InChI

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