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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-3-(3,4-dimethoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(3,4-dimethoxyphenyl)-4-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=C(C3=O)C4=CC(=C(C=C4)OC)OC)[O-]

Isomeric SMILES

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

InChI

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