3-(3,4-dimethoxyphenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCCCC4)OC

InChI

InChI=1S/C24H27NO5/c1-27-21-9-6-17(14-23(21)28-2)20-16-30-22-15-18(7-8-19(22)24(20)26)29-13-12-25-10-4-3-5-11-25/h6-9,14-16H,3-5,10-13H2,1-2H3/p+1