2-[3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]ethylazanium

Systemtic Name: 2-[3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]ethylazanium Openeye Name: 2-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)ethylammonium CAS Name: 2-[3-oxo-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]ethylammonium IUPAC Name: 2-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)ethylazanium Traditional Name: 2-(3-benzyl-5-keto-3-pyrazolin-4-yl)ethylammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)NN2)CC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)NN2)CC[NH3+]

InChI

InChI=1S/C12H15N3O/c13-7-6-10-11(14-15-12(10)16)8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H2,14,15,16)/p+1