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

Systemtic Name: N-[2-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[[2-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[2-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[2-(2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4C5=CC=CO5

Isomeric SMILES

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4C5=CC=CO5

InChI

InChI=1S/C23H26N4O2/c28-23(17-7-8-17)25-22-9-12-24-27(22)19-10-13-26(14-11-19)16-18-4-1-2-5-20(18)21-6-3-15-29-21/h1-6,9,12,15,17,19H,7-8,10-11,13-14,16H2,(H,25,28)/p+1