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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-2-keto-chromen-7-olate Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C20H21NO5/c1-21(2)11-15-16(22)7-5-13-9-14(20(23)26-19(13)15)12-6-8-17(24-3)18(10-12)25-4/h5-10,22H,11H2,1-4H3