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

Systemtic Name: 3-(2-ethoxyphenoxy)-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(3S)-3-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+]4CCCC(C4)C)O)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCC[C@@H](C4)C)O)C

InChI

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