1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-4-methyl-piperidin-1-ium tetrafluoroborate

Systemtic Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-4-methyl-piperidin-1-ium tetrafluoroborate Openeye Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-4-methyl-piperidin-1-ium tetrafluoroborate CAS Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolylidene)-4-methylpiperidin-1-ium tetrafluoroborate IUPAC Name: 1-(1-ethyl-2-methyl-5-phenylpyrazol-3-ylidene)-4-methylpiperidin-1-ium tetrafluoroborate Traditional Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolin-3-ylidene)-4-methyl-piperidin-1-ium tetrafluoroborate Formula: C18H26BF4N3 MolecularWeight: 371.223753

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCN1C(=CC(=[N+]2CCC(CC2)C)N1C)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CCN1C(=CC(=[N+]2CCC(CC2)C)N1C)C3=CC=CC=C3

InChI

InChI=1S/C18H26N3.BF4/c1-4-21-17(16-8-6-5-7-9-16)14-18(19(21)3)20-12-10-15(2)11-13-20;2-1(3,4)5/h5-9,14-15H,4,10-13H2,1-3H3;/q+1;-1