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

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C20H18N3O2S2+ MolecularWeight: 396.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H18N3O2S2/c1-14(24)15-5-2-8-22(12-15)13-20(25)23-17(19-7-4-10-27-19)11-16(21-23)18-6-3-9-26-18/h2-10,12,17H,11,13H2,1H3/q+1/t17-/m1/s1