[5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(2-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [5-(2-bromophenoxy)-1,3-dimethyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(2-bromophenoxy)-1,3-dimethylpyrazol-4-yl]methylazanium Traditional Name: [5-(2-bromophenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C12H15BrN3O+ MolecularWeight: 297.171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])OC2=CC=CC=C2Br)C

InChI

InChI=1S/C12H14BrN3O/c1-8-9(7-14)12(16(2)15-8)17-11-6-4-3-5-10(11)13/h3-6H,7,14H2,1-2H3/p+1