[3,5-bis(fluoranyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium

Systemtic Name: [3,5-bis(fluoranyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium Openeye Name: (3,5-difluorophenyl)methyl-[(1-methylpyrazol-3-yl)methyl]ammonium CAS Name: (3,5-difluorophenyl)methyl-[(1-methyl-3-pyrazolyl)methyl]ammonium IUPAC Name: (3,5-difluorophenyl)methyl-[(1-methylpyrazol-3-yl)methyl]azanium Traditional Name: (3,5-difluorobenzyl)-[(1-methylpyrazol-3-yl)methyl]ammonium Formula: C12H14F2N3+ MolecularWeight: 238.256466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C[NH2+]CC2=CC(=CC(=C2)F)F

Isomeric SMILES

CN1C=CC(=N1)C[NH2+]CC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H13F2N3/c1-17-3-2-12(16-17)8-15-7-9-4-10(13)6-11(14)5-9/h2-6,15H,7-8H2,1H3/p+1