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

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethanone Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S/c1-34-22-11-9-21(10-12-22)24-18-23(20-6-3-2-4-7-20)28-31(24)26(32)19-29-13-15-30(16-14-29)27(33)25-8-5-17-35-25/h2-12,17,24H,13-16,18-19H2,1H3/p+1/t24-/m1/s1