4-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: 4-[3-(2-furyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: 4-[3-(2-furanyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 4-[3-(2-furyl)-1H-pyrazol-5-yl]-1-(4-nitrobenzyl)piperidin-1-ium Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CO3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CO3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c24-23(25)16-5-3-14(4-6-16)13-22-9-7-15(8-10-22)17-12-18(21-20-17)19-2-1-11-26-19/h1-6,11-12,15H,7-10,13H2,(H,20,21)/p+1