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

Systemtic Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[3-(2-furanyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Formula: C14H17N4O+ MolecularWeight: 257.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CO3)CC#N

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CO3)CC#N

InChI

InChI=1S/C14H16N4O/c15-5-8-18-6-3-11(4-7-18)12-10-13(17-16-12)14-2-1-9-19-14/h1-2,9-11H,3-4,6-8H2,(H,16,17)/p+1