3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23NO5/c1-12-19(13-6-9-17(25-4)18(10-13)26-5)20(24)14-7-8-16(23)15(11-22(2)3)21(14)27-12/h6-10,23H,11H2,1-5H3