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

Systemtic Name: [5-(2-bromanyl-4-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(2-bromo-4-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [5-(2-bromo-4-methylphenoxy)-1,3-dimethyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methylazanium Traditional Name: [5-(2-bromo-4-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C13H17BrN3O+ MolecularWeight: 311.19758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C(=NN2C)C)C[NH3+])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C(=NN2C)C)C[NH3+])Br

InChI

InChI=1S/C13H16BrN3O/c1-8-4-5-12(11(14)6-8)18-13-10(7-15)9(2)16-17(13)3/h4-6H,7,15H2,1-3H3/p+1