2-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C26H31N6O2+ MolecularWeight: 459.56334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c33-24(30-12-5-2-6-13-30)20-29-14-16-31(17-15-29)26(34)23-19-32(22-9-3-1-4-10-22)28-25(23)21-8-7-11-27-18-21/h1,3-4,7-11,18-19H,2,5-6,12-17,20H2/p+1