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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OCC[NH+]4CCCCC4)OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OCC[NH+]4CCCCC4)OC2=O)OC

InChI

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