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

Systemtic Name: 5-(furan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(furan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-pyrazole-3-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NNC(=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H24N4O2/c26-21(19-13-18(23-24-19)20-9-6-12-27-20)22-14-16-7-2-3-8-17(16)15-25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11,14-15H2,(H,22,26)(H,23,24)/p+1