N-[2-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[[2-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[[2-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[2-(2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC=C4C5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC=C4C5=CC=CO5

InChI

InChI=1S/C27H28N4O2/c32-27(19-21-7-2-1-3-8-21)29-26-12-15-28-31(26)23-13-16-30(17-14-23)20-22-9-4-5-10-24(22)25-11-6-18-33-25/h1-12,15,18,23H,13-14,16-17,19-20H2,(H,29,32)/p+1