1-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-5-(2-furyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-5-(2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5S)-3-(2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C21H23N6O2S+ MolecularWeight: 423.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CS4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CO3)C4=CC=CS4)C5=NC=CC=N5

InChI

InChI=1S/C21H22N6O2S/c28-20(15-25-8-10-26(11-9-25)21-22-6-3-7-23-21)27-17(19-5-2-13-30-19)14-16(24-27)18-4-1-12-29-18/h1-7,12-13,17H,8-11,14-15H2/p+1/t17-/m0/s1