(3,5-dimethoxyphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[5-hydroxy-4-(4-morpholin-4-iumylmethyl)-3-benzofuranyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-yl]methanone Traditional Name: (3,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]methanone Formula: C22H24NO6+ MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H23NO6/c1-26-15-9-14(10-16(11-15)27-2)22(25)18-13-29-20-4-3-19(24)17(21(18)20)12-23-5-7-28-8-6-23/h3-4,9-11,13,24H,5-8,12H2,1-2H3/p+1