(4-cyano-2-fluoranyl-phenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[(4-cyano-2-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(4-cyano-2-fluorophenyl)methyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-(4-cyano-2-fluoro-benzyl)-methyl-ammonium Formula: C20H20FN4+ MolecularWeight: 335.398003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)C#N)F)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)C#N)F)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19FN4/c1-24(15-19-8-7-17(10-22)9-20(19)21)12-18-11-23-25(14-18)13-16-5-3-2-4-6-16/h2-9,11,14H,12-13,15H2,1H3/p+1