[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl]ammonium CAS Name: [1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl]ammonium Formula: C20H20FN4+ MolecularWeight: 335.398003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

InChI

InChI=1S/C20H19FN4/c21-19-9-7-17(8-10-19)20-18(15-25(24-20)12-4-11-22)14-23-13-16-5-2-1-3-6-16/h1-3,5-10,15,23H,4,12-14H2/p+1