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

Systemtic Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Formula: C16H17Cl2N4+ MolecularWeight: 336.23898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N4/c17-12-1-2-13(14(18)9-12)16-10-15(20-21-16)11-3-6-22(7-4-11)8-5-19/h1-2,9-11H,3-4,6-8H2,(H,20,21)/p+1