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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-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=C(C2=O)C3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

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

InChI

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