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

Systemtic Name: N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[[3-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[[3-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[3-(2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c31-26(21-7-2-1-3-8-21)28-25-11-14-27-30(25)23-12-15-29(16-13-23)19-20-6-4-9-22(18-20)24-10-5-17-32-24/h1-11,14,17-18,23H,12-13,15-16,19H2,(H,28,31)/p+1