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

Systemtic Name: 1-morpholin-4-yl-2-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C25H29N6O3+ MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3/c32-23(29-13-15-34-16-14-29)19-28-9-11-30(12-10-28)25(33)22-18-31(21-6-2-1-3-7-21)27-24(22)20-5-4-8-26-17-20/h1-8,17-18H,9-16,19H2/p+1