bis(2-hydroxyethyl)-[(5-oxidanyl-3-thiophen-2-ylcarbonyl-1-benzofuran-4-yl)methyl]azanium chloride

Systemtic Name: bis(2-hydroxyethyl)-[(5-oxidanyl-3-thiophen-2-ylcarbonyl-1-benzofuran-4-yl)methyl]azanium chloride Openeye Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-(thiophene-2-carbonyl)benzofuran-4-yl]methyl]ammonium chloride CAS Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-[oxo(thiophen-2-yl)methyl]-4-benzofuranyl]methyl]ammonium chloride IUPAC Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-(thiophene-2-carbonyl)-1-benzofuran-4-yl]methyl]azanium chloride Traditional Name: bis(2-hydroxyethyl)-[[5-hydroxy-3-(2-thenoyl)benzofuran-4-yl]methyl]ammonium chloride Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](CCO)CCO.[Cl-]

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](CCO)CCO.[Cl-]

InChI

InChI=1S/C18H19NO5S.ClH/c20-7-5-19(6-8-21)10-12-14(22)3-4-15-17(12)13(11-24-15)18(23)16-2-1-9-25-16;/h1-4,9,11,20-22H,5-8,10H2;1H