1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium tetrafluoroborate

Systemtic Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium tetrafluoroborate Openeye Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium tetrafluoroborate CAS Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolylidene)piperidin-1-ium tetrafluoroborate IUPAC Name: 1-(1-ethyl-2-methyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium tetrafluoroborate Traditional Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium tetrafluoroborate Formula: C17H24BF4N3 MolecularWeight: 357.197173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N3.BF4/c1-3-20-16(15-10-6-4-7-11-15)14-17(18(20)2)19-12-8-5-9-13-19;2-1(3,4)5/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3;/q+1;-1