3-[3-(3-bromophenyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]propylazanium

Systemtic Name: 3-[3-(3-bromophenyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]propylazanium Openeye Name: 3-[3-(3-bromophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]propylammonium CAS Name: 3-[3-(3-bromophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]propylammonium IUPAC Name: 3-[3-(3-bromophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]propylazanium Traditional Name: 3-[3-(3-bromophenyl)-5-keto-3-pyrazolin-4-yl]propylammonium Formula: C12H15BrN3O+ MolecularWeight: 297.171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C(C(=O)NN2)CCC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C(C(=O)NN2)CCC[NH3+]

InChI

InChI=1S/C12H14BrN3O/c13-9-4-1-3-8(7-9)11-10(5-2-6-14)12(17)16-15-11/h1,3-4,7H,2,5-6,14H2,(H2,15,16,17)/p+1