1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-34-23-12-10-22(11-13-23)25-19-24(21-7-3-2-4-8-21)29-32(25)27(33)20-30-15-17-31(18-16-30)26-9-5-6-14-28-26/h2-14,25H,15-20H2,1H3/p+1/t25-/m1/s1