1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C23H26N5OS2+ MolecularWeight: 452.61544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)CC5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CS4)CC5=CC=CC=N5

InChI

InChI=1S/C23H25N5OS2/c29-23(17-27-11-9-26(10-12-27)16-18-5-1-2-8-24-18)28-20(22-7-4-14-31-22)15-19(25-28)21-6-3-13-30-21/h1-8,13-14,20H,9-12,15-17H2/p+1/t20-/m0/s1