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

Systemtic Name: 3-(2-ethoxyphenoxy)-2-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C)O)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@@H]4C)O)C

InChI

InChI=1S/C25H29NO5/c1-4-29-21-10-5-6-11-22(21)31-24-17(3)30-25-18(23(24)28)12-13-20(27)19(25)15-26-14-8-7-9-16(26)2/h5-6,10-13,16,27H,4,7-9,14-15H2,1-3H3/p+1/t16-/m0/s1