(5-cyano-2-fluoranyl-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H18FN4+ MolecularWeight: 321.371423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4/c1-23(14-17-9-15(10-21)7-8-19(17)20)12-16-11-22-24(13-16)18-5-3-2-4-6-18/h2-9,11,13H,12,14H2,1H3/p+1