[4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-fluoranyl-phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=C(C=C2)C[NH3+])F)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=C(C=C2)C[NH3+])F)C

InChI

InChI=1S/C13H16FN3/c1-9-5-10(2)17(16-9)8-12-4-3-11(7-15)6-13(12)14/h3-6H,7-8,15H2,1-2H3/p+1