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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-(4-morpholin-4-iumylmethyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-2-oxochromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-2-keto-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C23H25NO6 MolecularWeight: 411.4477

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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