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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(4-methoxyphenyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(4-methoxyphenyl)-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-2-keto-3-(4-methoxyphenyl)-4-methyl-chromen-7-olate Formula: C20H21NO4 MolecularWeight: 339.38504

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-12-15-9-10-17(22)16(11-21(2)3)19(15)25-20(23)18(12)13-5-7-14(24-4)8-6-13/h5-10,22H,11H2,1-4H3