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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

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