1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; fluoranyl-bis(oxidanidyl)borane

Systemtic Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; fluoranyl-bis(oxidanidyl)borane Openeye Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; fluoro(dioxido)borane CAS Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium; fluoro(dioxido)borane IUPAC Name: 1-(1-ethyl-2-methyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium; fluoro(dioxido)borane Traditional Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium; fluoro(dioxido)borane Formula: C144H208B4F4N24O8 MolecularWeight: 2522.585933

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3

InChI

InChI=1S/8C18H26N3.4BFO2/c8*1-4-21-17(16-10-6-5-7-11-16)13-18(19(21)3)20-12-8-9-15(2)14-20;4*2-1(3)4/h8*5-7,10-11,13,15H,4,8-9,12,14H2,1-3H3;;;;/q8*+1;4*-2