[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(3,5-dimethyl-1-pyrazolyl)-3-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-phenyl]ethyl]ammonium Formula: C13H17FN3+ MolecularWeight: 234.292583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)C(C)[NH3+])F)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)[C@H](C)[NH3+])F)C

InChI

InChI=1S/C13H16FN3/c1-8-6-9(2)17(16-8)13-5-4-11(10(3)15)7-12(13)14/h4-7,10H,15H2,1-3H3/p+1/t10-/m0/s1