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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(O4)CO

InChI

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