3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])OC

InChI

InChI=1S/C22H23NO6/c1-26-19-6-3-14(11-20(19)27-2)17-13-29-22-15(21(17)25)4-5-18(24)16(22)12-23-7-9-28-10-8-23/h3-6,11,13,24H,7-10,12H2,1-2H3