(2,5-dimethoxyphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone

Systemtic Name: (2,5-dimethoxyphenyl)-[4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone Openeye Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-yl]methanone CAS Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-(4-morpholin-4-iumylmethyl)-3-benzofuranyl]methanone IUPAC Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-yl]methanone Traditional Name: (2,5-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(=C(C=C1)OC)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4

Isomeric SMILES

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

InChI

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