1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2-furylmethyl)piperidin-1-ium-4-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-furfuryl)piperidin-1-ium-4-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H33N5O2+2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C25H31N5O2/c31-25(27-21-4-1-3-20(17-21)24-6-11-26-28-24)19-7-14-30(15-8-19)22-9-12-29(13-10-22)18-23-5-2-16-32-23/h1-6,11,16-17,19,22H,7-10,12-15,18H2,(H,26,28)(H,27,31)/p+2