[5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [5-(4-bromo-2-fluorophenoxy)-1,3-dimethyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methylazanium Traditional Name: [5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C12H14BrFN3O+ MolecularWeight: 315.161463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])OC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C12H13BrFN3O/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(13)5-10(11)14/h3-5H,6,15H2,1-2H3/p+1