3-(3,4-dimethoxyphenyl)-2-methyl-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-chromen-7-olate Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27NO5/c1-17-25(19-10-13-23(31-3)24(14-19)32-4)26(30)20-11-12-22(29)21(27(20)33-17)16-28(2)15-18-8-6-5-7-9-18/h5-14,29H,15-16H2,1-4H3