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

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C23H25N4OS2+ MolecularWeight: 437.6008

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS2/c28-23(17-25-10-12-26(13-11-25)18-6-2-1-3-7-18)27-20(22-9-5-15-30-22)16-19(24-27)21-8-4-14-29-21/h1-9,14-15,20H,10-13,16-17H2/p+1/t20-/m1/s1