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

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Formula: C20H20N3OS2+ MolecularWeight: 382.5223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4)C

InChI

InChI=1S/C20H20N3OS2/c1-14-6-3-9-22(15(14)2)13-20(24)23-17(19-8-5-11-26-19)12-16(21-23)18-7-4-10-25-18/h3-11,17H,12-13H2,1-2H3/q+1/t17-/m1/s1