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

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C22H25N5OS2+2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H23N5OS2/c28-22(16-25-9-11-26(12-10-25)21-7-1-2-8-23-21)27-18(20-6-4-14-30-20)15-17(24-27)19-5-3-13-29-19/h1-8,13-14,18H,9-12,15-16H2/p+2/t18-/m1/s1