[3-(2,4-dimethoxyphenyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(2,4-dimethoxyphenyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(2,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: [3-(2,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(2,4-dimethoxyphenyl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl]-methyl-ammonium Formula: C27H28NO5+ MolecularWeight: 446.51492

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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/p+1