3-[(S)-(2,5-dimethoxyphenyl)-oxidanyl-methyl]-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-5-ol

Systemtic Name: 3-[(S)-(2,5-dimethoxyphenyl)-oxidanyl-methyl]-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-5-ol Openeye Name: 3-[(S)-(2,5-dimethoxyphenyl)-hydroxy-methyl]-4-(morpholin-4-ium-4-ylmethyl)benzofuran-5-ol CAS Name: 3-[(S)-(2,5-dimethoxyphenyl)-hydroxymethyl]-4-(4-morpholin-4-iumylmethyl)-5-benzofuranol IUPAC Name: 3-[(S)-(2,5-dimethoxyphenyl)-hydroxymethyl]-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-5-ol Traditional Name: 3-[(S)-(2,5-dimethoxyphenyl)-hydroxy-methyl]-4-(morpholin-4-ium-4-ylmethyl)benzofuran-5-ol Formula: C22H26NO6+ MolecularWeight: 400.44494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/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/h3-6,11,13,22,24-25H,7-10,12H2,1-2H3/p+1/t22-/m1/s1