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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 2-(3,4-dimethoxyphenyl)-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(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=C(C(=O)C3=CC=CC=C3O2)OCC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC[NH+]4CCCCC4)OC

InChI

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