1-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-5-(benzofuran-2-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-5-(2-benzofuranyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-3-(benzofuran-2-yl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4O3)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@H](CC(=N2)C3=CC4=CC=CC=C4O3)C5=CC=CO5

InChI

InChI=1S/C22H23N3O3/c26-22(15-24-10-4-1-5-11-24)25-18(20-9-6-12-27-20)14-17(23-25)21-13-16-7-2-3-8-19(16)28-21/h2-3,6-9,12-13,18H,1,4-5,10-11,14-15H2/p+1/t18-/m1/s1