(5-bromanyl-2-fluoranyl-phenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(5-bromo-2-fluoro-phenyl)methyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(5-bromo-2-fluorophenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(5-bromo-2-fluoro-benzyl)ammonium Formula: C20H22BrFN3+ MolecularWeight: 403.311183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H21BrFN3/c1-14-19(12-23-11-17-10-18(21)8-9-20(17)22)15(2)25(24-14)13-16-6-4-3-5-7-16/h3-10,23H,11-13H2,1-2H3/p+1