1-(4-fluoranyl-1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium iodide

Systemtic Name: 1-(4-fluoranyl-1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium iodide Openeye Name: 1-(4-fluoro-1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium iodide CAS Name: 1-(4-fluoro-1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium iodide IUPAC Name: 1-(4-fluoro-1,2-dimethyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium iodide Traditional Name: 1-(4-fluoro-1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium iodide Formula: C17H23FIN3 MolecularWeight: 415.287493

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](=C2C(=C(N(N2C)C)C3=CC=CC=C3)F)C1.[I-]

Isomeric SMILES

CC1CCC[N+](=C2C(=C(N(N2C)C)C3=CC=CC=C3)F)C1.[I-]

InChI

InChI=1S/C17H23FN3.HI/c1-13-8-7-11-21(12-13)17-15(18)16(19(2)20(17)3)14-9-5-4-6-10-14;/h4-6,9-10,13H,7-8,11-12H2,1-3H3;1H/q+1;/p-1