1-[2-ethyl-5-(4-fluorophenyl)-1-methyl-pyrazol-3-ylidene]piperidin-1-ium chloride

Systemtic Name: 1-[2-ethyl-5-(4-fluorophenyl)-1-methyl-pyrazol-3-ylidene]piperidin-1-ium chloride Openeye Name: 1-[2-ethyl-5-(4-fluorophenyl)-1-methyl-pyrazol-3-ylidene]piperidin-1-ium chloride CAS Name: 1-[2-ethyl-5-(4-fluorophenyl)-1-methyl-3-pyrazolylidene]piperidin-1-ium chloride IUPAC Name: 1-[2-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-ylidene]piperidin-1-ium chloride Traditional Name: 1-[2-ethyl-5-(4-fluorophenyl)-1-methyl-3-pyrazolin-3-ylidene]piperidin-1-ium chloride Formula: C17H23ClFN3 MolecularWeight: 323.836023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+]2CCCCC2)C=C(N1C)C3=CC=C(C=C3)F.[Cl-]

Isomeric SMILES

CCN1C(=[N+]2CCCCC2)C=C(N1C)C3=CC=C(C=C3)F.[Cl-]

InChI

InChI=1S/C17H23FN3.ClH/c1-3-21-17(20-11-5-4-6-12-20)13-16(19(21)2)14-7-9-15(18)10-8-14;/h7-10,13H,3-6,11-12H2,1-2H3;1H/q+1;/p-1