[2,3-bis(fluoranyl)phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (2,3-difluorophenyl)methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (2,3-difluorophenyl)methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2,3-difluorophenyl)methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (2,3-difluorobenzyl)-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C12H14F2N3+ MolecularWeight: 238.256466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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