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

Systemtic Name: 1-[4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 2-morpholin-4-ium-4-yl-1-[4-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 2-morpholin-4-ium-4-yl-1-[4-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c1-21-7-9-22(10-8-21)26-24(19-32(28-26)23-5-3-2-4-6-23)27(34)31-13-11-30(12-14-31)25(33)20-29-15-17-35-18-16-29/h2-10,19H,11-18,20H2,1H3/p+1