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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-2-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)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC(=C(C=C4)OC)OC

InChI

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