3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C22H24NO6+ MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-26-19-6-4-14(12-20(19)27-2)16-11-15-3-5-18(24)17(21(15)29-22(16)25)13-23-7-9-28-10-8-23/h3-6,11-12,24H,7-10,13H2,1-2H3/p+1