4-(3-oxidanylidene-5-pyridin-4-yl-1,2-dihydropyrazol-4-yl)butylazanium

Systemtic Name: 4-(3-oxidanylidene-5-pyridin-4-yl-1,2-dihydropyrazol-4-yl)butylazanium Openeye Name: 4-[3-oxo-5-(4-pyridyl)-1,2-dihydropyrazol-4-yl]butylammonium CAS Name: 4-(3-oxo-5-pyridin-4-yl-1,2-dihydropyrazol-4-yl)butylammonium IUPAC Name: 4-(3-oxo-5-pyridin-4-yl-1,2-dihydropyrazol-4-yl)butylazanium Traditional Name: 4-[3-keto-5-(4-pyridyl)-3-pyrazolin-4-yl]butylammonium Formula: C12H17N4O+ MolecularWeight: 233.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=C(C(=O)NN2)CCCC[NH3+]

Isomeric SMILES

C1=CN=CC=C1C2=C(C(=O)NN2)CCCC[NH3+]

InChI

InChI=1S/C12H16N4O/c13-6-2-1-3-10-11(15-16-12(10)17)9-4-7-14-8-5-9/h4-5,7-8H,1-3,6,13H2,(H2,15,16,17)/p+1