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

Systemtic Name: [3-(2,5-dimethoxyphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium Openeye Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-diethyl-ammonium CAS Name: [3-[(2,5-dimethoxyphenyl)-oxomethyl]-5-hydroxy-4-benzofuranyl]methyl-diethylammonium IUPAC Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-diethylazanium Traditional Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-diethyl-ammonium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=C(C=CC(=C3)OC)OC)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=C(C=CC(=C3)OC)OC)O

InChI

InChI=1S/C22H25NO5/c1-5-23(6-2)12-16-18(24)8-10-20-21(16)17(13-28-20)22(25)15-11-14(26-3)7-9-19(15)27-4/h7-11,13,24H,5-6,12H2,1-4H3/p+1