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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+](C)C)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+](C)C)[O-])C3=CC(=C(C=C3)OC)OC

InChI

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