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

Systemtic Name: 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(hydroxymethyl)-2-furyl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(hydroxymethyl)-2-furanyl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-methylol-2-furyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC=C(O4)CO

InChI

InChI=1S/C21H24N4O3/c26-14-19-5-4-18(28-19)13-25-10-7-15(8-11-25)21(27)23-17-3-1-2-16(12-17)20-6-9-22-24-20/h1-6,9,12,15,26H,7-8,10-11,13-14H2,(H,22,24)(H,23,27)/p+1