3-(2,5-dimethoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C23H26NO6+ MolecularWeight: 412.45564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H25NO6/c1-14-16-5-6-19(25)18(13-24-8-10-29-11-9-24)22(16)30-23(26)21(14)17-12-15(27-2)4-7-20(17)28-3/h4-7,12,25H,8-11,13H2,1-3H3/p+1