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

Systemtic Name: 1-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazino]-2-morpholin-4-ium-4-yl-ethanone Formula: C27H32N5O4+ MolecularWeight: 490.57408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O4/c1-35-23-9-7-21(8-10-23)26-24(19-32(28-26)22-5-3-2-4-6-22)27(34)31-13-11-30(12-14-31)25(33)20-29-15-17-36-18-16-29/h2-10,19H,11-18,20H2,1H3/p+1