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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-morpholin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(2-morpholin-4-ium-4-ylethoxy)coumarin Formula: C23H26NO6+ MolecularWeight: 412.45564

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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+]4CCOCC4)OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OCC[NH+]4CCOCC4)OC2=O)OC

InChI

InChI=1S/C23H25NO6/c1-26-20-6-4-16(14-22(20)27-2)19-13-17-3-5-18(15-21(17)30-23(19)25)29-12-9-24-7-10-28-11-8-24/h3-6,13-15H,7-12H2,1-2H3/p+1