4-[[bis(2-hydroxyethyl)azaniumyl]methyl]-3-thiophen-2-ylcarbonyl-1-benzofuran-5-olate

Systemtic Name: 4-[[bis(2-hydroxyethyl)azaniumyl]methyl]-3-thiophen-2-ylcarbonyl-1-benzofuran-5-olate Openeye Name: 4-[[bis(2-hydroxyethyl)ammonio]methyl]-3-(thiophene-2-carbonyl)benzofuran-5-olate CAS Name: 4-[[bis(2-hydroxyethyl)ammonio]methyl]-3-[oxo(thiophen-2-yl)methyl]-5-benzofuranolate IUPAC Name: 4-[[bis(2-hydroxyethyl)azaniumyl]methyl]-3-(thiophene-2-carbonyl)-1-benzofuran-5-olate Traditional Name: 4-[[bis(2-hydroxyethyl)ammonio]methyl]-3-(2-thenoyl)benzofuran-5-olate Formula: C18H19NO5S MolecularWeight: 361.41216

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/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