1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H23N5O/c26-20(25-11-9-18(22-25)17-6-2-1-3-7-17)16-23-12-14-24(15-13-23)19-8-4-5-10-21-19/h1-8,10H,9,11-16H2/p+1