[6-bromanyl-3-(2,5-dimethoxyphenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [6-bromanyl-3-(2,5-dimethoxyphenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-[(2,5-dimethoxyphenyl)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C21H23BrNO5+ MolecularWeight: 449.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(C=C2O1)Br)O)C[NH+](C)C)C(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C2=C(C(=C(C=C2O1)Br)O)C[NH+](C)C)C(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H22BrNO5/c1-11-18(21(25)13-8-12(26-4)6-7-16(13)27-5)19-14(10-23(2)3)20(24)15(22)9-17(19)28-11/h6-9,24H,10H2,1-5H3/p+1