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

Systemtic Name: 1-morpholin-4-yl-2-[4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C27H32N5O3+ MolecularWeight: 474.57468

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c33-25(30-15-17-35-18-16-30)21-29-11-13-31(14-12-29)27(34)24-20-32(19-22-7-3-1-4-8-22)28-26(24)23-9-5-2-6-10-23/h1-10,20H,11-19,21H2/p+1