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

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Formula: C19H18N3OS2+ MolecularWeight: 368.49572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C19H18N3OS2/c1-14-6-2-3-9-21(14)13-19(23)22-16(18-8-5-11-25-18)12-15(20-22)17-7-4-10-24-17/h2-11,16H,12-13H2,1H3/q+1/t16-/m1/s1