3-(2,5-dimethoxyphenyl)-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(2,5-dimethoxyphenyl)-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-8-[[methyl-(phenylmethyl)ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-3-(2,5-dimethoxyphenyl)-2-oxochromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(2,5-dimethoxyphenyl)-2-keto-chromen-7-olate Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

InChI

InChI=1S/C26H25NO5/c1-27(15-17-7-5-4-6-8-17)16-22-23(28)11-9-18-13-21(26(29)32-25(18)22)20-14-19(30-2)10-12-24(20)31-3/h4-14,28H,15-16H2,1-3H3