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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+](C)CC3=CC=CC=C3)[O-])C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+](C)CC3=CC=CC=C3)[O-])C4=C(C=C(C=C4)OC)OC

InChI

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