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

Systemtic Name: N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[[3-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[3-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[3-(2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H24N4O2/c1-16(26)23-21-7-10-22-25(21)19-8-11-24(12-9-19)15-17-4-2-5-18(14-17)20-6-3-13-27-20/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,23,26)/p+1