2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C26H30N5O3+ MolecularWeight: 460.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c32-24(29-15-17-34-18-16-29)20-28-11-13-30(14-12-28)26(33)23-19-31(22-9-5-2-6-10-22)27-25(23)21-7-3-1-4-8-21/h1-10,19H,11-18,20H2/p+1