N-[5-bromanyl-2-(5-bromanylthiophen-2-yl)carbonyl-1-benzofuran-3-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-bromanyl-2-(5-bromanylthiophen-2-yl)carbonyl-1-benzofuran-3-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-bromo-2-(5-bromothiophene-2-carbonyl)benzofuran-3-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-bromo-2-[(5-bromo-2-thiophenyl)-oxomethyl]-3-benzofuranyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-bromo-2-(5-bromothiophene-2-carbonyl)-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-bromo-2-(5-bromothiophene-2-carbonyl)benzofuran-3-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H19Br2N2O3S+ MolecularWeight: 527.24946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C20H18Br2N2O3S/c21-12-4-5-14-13(10-12)18(23-17(25)11-24-8-2-1-3-9-24)20(27-14)19(26)15-6-7-16(22)28-15/h4-7,10H,1-3,8-9,11H2,(H,23,25)/p+1