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

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O/c26-18(25-10-7-17(22-25)16-5-2-1-3-6-16)15-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-6,8-9H,7,10-15H2/p+1