4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperazin-4-ium-2-one Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H18N4O2/c20-14-10-18(9-7-16-14)11-15(21)19-8-6-13(17-19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,20)/p+1